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Showing papers in "Acta Crystallographica Section E-structure Reports Online in 2009"


Journal ArticleDOI
TL;DR: Crystals of the title compound, C6H5C2H4NH3)2[PbBr4]n, were grown at room temperature from a solution in N,N-dimethylformamide (DMF) using nitromethane as the poor solvent.
Abstract: Crystals of the title compound, {(C6H5C2H4NH3)2[PbBr4]}n, were grown at room temperature from a solution in N,N-dimethyl­formamide (DMF) using nitro­methane as the poor solvent. This perovskite-type organic–inorganic hybrid compound consists of well ordered sheets of corner-sharing disordered PbBr6 octa­hedra separated by bilayers of phenethyl­ammonium cations. The octa­hedra are rotated and tilted due to N—H⋯Br hydrogen bonds with the ammonium groups, generating a superstructure in the unit cell similar to that of the tetra­chloridoplumbate (C6H5C2H4NH3)2[PbCl4].

39 citations


Journal ArticleDOI
TL;DR: In the crystal structure of the title compound, C13H11NO3S, the conformation of the N—H bond in the C—SO2—NH—C(O)—C segment is anti to the C=O bond.
Abstract: In the crystal structure of the title compound, C13H11NO3S, the conformation of the N—H bond in the C—SO2—NH—C(O)—C segment is anti to the C=O bond. The molecule is twisted at theN atom with a dihedral angle of 86.5(1)° between the sulfonyl benzene ring and the —SO2—NH—C=O segment. Furthermore, the dihedral angle between the two benzene rings is 80.3(1)°. The crystal structure features inversion-related dimers linked by pairs of N—H⋯O(S) hydrogen bonds.

28 citations


Journal ArticleDOI
TL;DR: The NiII complex [Ni(C7H4ClO2) 2(C6H6N2O)2(H2O 2 ) is centrosymmetric with the Ni atom located on an inversion center as mentioned in this paper, and it contains two 2-chloro-benzoate (CB) and two nicotinamide (NA) ligands and two water molecules.
Abstract: The title NiII complex, [Ni(C7H4ClO2)2(C6H6N2O)2(H2O)2], is centrosymmetric with the Ni atom located on an inversion centre. The mol­ecule contains two 2-chloro­benzoate (CB) and two nicotinamide (NA) ligands and two water mol­ecules, all ligands being monodentate. The four O atoms in the equatorial plane around the Ni atom form a slightly distorted square-planar arrangement, while the slightly distorted octa­hedral coordination is completed by the two N atoms of the NA ligands in the axial positions. The dihedral angle between the carboxyl group and the adjacent benzene ring is 29.48 (16)°, while the pyridine and benzene rings are oriented at a dihedral angle of 83.16 (5)°. In the crystal structure, O—H⋯O and N—H⋯O hydrogen bonds link the mol­ecules into infinite chains. π–π Contacts between the benzene and pyridine rings [centroid–centroid distance = 3.952 (1) A] may further stabilize the crystal structure. There is also a C—H⋯π inter­action.

28 citations


Journal ArticleDOI
TL;DR: The NiII complex as mentioned in this paper is centrosymmetric and contains two 2-bromo-benzoate (BB) ligands, two nicotinamide ligands and two water molecules, all of them being monodentate.
Abstract: The title NiII complex, [Ni(C7H4BrO2)2(C6H6N2O)2(H2O)2], is centrosymmetric. It contains two 2-bromo­benzoate (BB) ligands, two nicotinamide (NA) ligands and two water mol­ecules, all of them being monodentate. The four O atoms in the equatorial plane around the Ni atom form a slightly distorted square-planar arrangement, while the slightly distorted octa­hedral coordination is completed by the two N atoms of the NA ligands in the axial positions. The dihedral angle between the carboxyl­ate group and the adjacent benzene ring is 30.81 (17)°, while the pyridine and benzene rings are oriented at a dihedral angle of 84.66 (6)°. In the crystal structure, O—H⋯O and N—H⋯O hydrogen bonds link the mol­ecules into a supra­molecular structure. A weak C—H⋯π inter­action is also found.

28 citations


Journal ArticleDOI
TL;DR: The Schiff base of C15H14N2O4·H2O is almost planar and adopts a trans configuration with respect to the C=N double bond as mentioned in this paper.
Abstract: The Schiff base mol­ecule of the title compound, C15H14N2O4·H2O, adopts a trans configuration with respect to the C=N double bond; the Schiff base itself is almost planar (r.m.s. deviation for all non-H atoms = 0.040 A). The amido N atom is the hydrogen-bond donor to the water mol­ecule, which is the hydrogen-bond donor to the hydr­oxy groups of two neighboring mol­ecules. One of the hydroxyl groups acts as an intra­molecular and the other as an inter­molecular hydrogen-bond donor.

25 citations


Journal ArticleDOI
TL;DR: In the title compound, C14H12ClN3OS, the short exocyclic N—C bond lengths indicate resonance in the thiourea part of the molecule, which results in the formation of a six-membered ring.
Abstract: In the title compound, C14H12ClN3OS, the short exocyclic N—C bond lengths indicate resonance in the thiourea part of the mol­ecule. The title compound is stabilized by an intra­molecular N—H⋯N hydrogen bond, which results in the formation of a six-membered ring. In addition, it shows a synperiplanar conformation between the thio­carbonyl group and the pyridine group. Inter­molecular N—H⋯S and C—H⋯O inter­actions are also present.

25 citations


Journal ArticleDOI
TL;DR: The title compound is a monomeric complex with the MnII atom lying on an inversion center that contains two 4-chlorobenzoate and two diethylnicotinamide ligands and two water molecules, all of which are monodentate.
Abstract: The title compound, [Mn(C7H4ClO2)2(C10H14N2O)2(H2O)2], is a monomeric complex with the MnII atom lying on an inversion center. It contains two 4-chloro­benzoate and two diethyl­nicotinamide ligands and two water mol­ecules, all of which are monodentate. The four O atoms in the equatorial plane around the Mn atom form a slightly distorted square-planar arrangement, while the distorted octa­hedral geometry is completed by two N atoms in the axial positions. In the crystal structure, O—H⋯O hydrogen bonds link the mol­ecules into an infinite chain.

23 citations


Journal ArticleDOI
TL;DR: The complete compound ZnI2(C12H12N2) is generated by crystallograpic twofold symmetry, with the ZnII atom lying on the rotation axis as discussed by the authors.
Abstract: The complete mol­ecule of the title compound, [ZnI2(C12H12N2)], is generated by crystallograpic twofold symmetry, with the ZnII atom lying on the rotation axis. The ZnII atom is coordinated by the N,N-bidentate 6,6′-dimethyl-2,2′-bipyridine ligand and two iodide ions, resulting in a distorted ZnN2I2 tetra­hedral geometry for the metal. In the crystal, there are weak π–π contacts between the pyridine rings [centroid–centroid distance = 3.978 (3) A].

19 citations


Journal ArticleDOI
TL;DR: In the title complex, [Ni(C23H28N2O4)]·H2O, the NiII ion is coordinated by the N2O2 unit of the tetradentate Schiff base ligand in a slightly distorted planar geometry in which the dihedral angle between the two benzene rings is 31.43 (5)°.
Abstract: In the title complex, [Ni(C23H28N2O4)]·H2O, the NiII ion is coordinated by the N2O2 unit of the tetra­dentate Schiff base ligand in a slightly distorted planar geometry. The asymmetric unit of the title compound comprises one complex mol­ecule and a water mol­ecule of crystallization. The H atoms of the water mol­ecule make bifurcated inter­molecular hydrogen bonds with the O atoms of the phenolate and eth­oxy groups with R12(5) and R12(6) ring motifs, which may, in part, influence the mol­ecular configuration. The dihedral angle between the two benzene rings is 31.43 (5)°. The crystal structure is further stabilized by inter­molecular C—H⋯O and C—H⋯π inter­actions, which link neighbouring mol­ecules into one-dimensional extended chains along the a axis. An inter­esting feature of the crystal structure is the short inter­molecular C⋯C [3.3044 (14) A] contact which is shorter than the sum of the van der Waals radii.

19 citations


Journal ArticleDOI
TL;DR: In the title ZnII complex, [Zn(C8H8NO2)2(C6H6N2O)2]·H2O, the Zn atom is coordinated by two 4-methylaminobenzoate (MAB) and two isonicotinamide (INA) ligands in a distorted trigonal-bipyramidal geometry.
Abstract: In the title ZnII complex, [Zn(C8H8NO2)2(C6H6N2O)2]·H2O, the Zn atom is coordinated by two 4-methyl­amino­benzoate (MAB) and two isonicotinamide (INA) ligands in a distorted trigonal-bipyramidal geometry; one of the MAB ions acts as a bidentate ligand while the other MAB and the two INA are monodentate ligands. The dihedral angles between the carboxyl groups and the adjacent benzene rings are 8.52 (22) and 5.10 (14)°. In the crystal, inter­molecular O—H⋯O and N—H⋯O hydrogen bonding links the mol­ecules into a supra­molecular structure. Weak inter­molecular C—H⋯O inter­actions are also present.

19 citations


Journal ArticleDOI
TL;DR: Crystals of the title compound (DBTTF), C14H8S4, feature a triclinic polymorph different from two known monoclinicmorphs, and there are two independent centrosymmetric half-molecules in the asymmetric unit.
Abstract: Crystals of the title compound (DBTTF), C14H8S4, feature a triclinic polymorph different from two known monoclinic polymorphs. In this form, there are two independent centrosymmetric half-mol­ecules in the asymmetric unit. Although the mol­ecular orientations are relatively similar to one of monoclinic polymorphs, the packing motif is different.

Journal ArticleDOI
TL;DR: The crystal structure of tetrasodium diiron tris(phosphate), Na4Fe2+Fe3+(PO4)3, which has been synthesized hydrothermally at 773 K and 0.1 GPa and is identical to that of γ-NASICON.
Abstract: This paper reports the crystal structure of tetra­sodium diiron tris(phosphate), Na4Fe2+Fe3+(PO4)3, which has been synthesized hydro­thermally at 773 K and 0.1 GPa. The crystal structure has been refined in the space group R\overline{3}c and is identical to that of γ-NASICON. The heteropolyhedral framework is based on a regular alternation, in three dimensions, of corner-sharing PO4 tetra­hedra and FeO6 octa­hedra, constituting so-called `lantern units' stacked along the c axis. The Na+ cations are distributed over two crystallographic sites: the six-coordinated Na1 site which lies between two `lantern units', and the eight-coordinated Na2 site which lies at the same z value as the P site.

Journal ArticleDOI
TL;DR: The reaction of Zn(NO3)2 with pyridine-2,6-dicarboxylic acid and acridine in aqueous solution leads to the formation of the title compound, (C13H10N), where the ZnII atom is coordinated by four O atoms and two N atoms from the tridentate chelating rings of ( pydc)2− and (pydcH)− anions.
Abstract: The reaction of Zn(NO3)2 with pyridine-2,6-dicarboxylic acid (pydcH2) and acridine (acr) in aqueous solution leads to the formation of the title compound, (C13H10N)[Zn(C7H3NO4)(C7H4NO4)]·5H2O or (acrH)[Zn(pydcH)(pydc)]·5H2O. In the title compound, the ZnII atom is coordinated by four O atoms and two N atoms from the tridentate chelating rings of (pydc)2− and (pydcH)− anions. The geometry of the resulting ZnN2O4 coordination can be described as distorted octa­hedral. To balance the charges, one protonated acridine (acrH)+ cation is present. In the crystal structure, extensive O—H⋯O and N—H⋯O hydrogen bonds involving acrH+, the complex anion and uncoordinated water mol­ecules form a three-dimensional network.

Journal ArticleDOI
TL;DR: In the cystal structure of the title compound, (2-hydroxyethyl)trimethylammonium dihydrogen phosphate, C5H14NO+·H2PO4 −, two anions create dimeric structures via two O—H⋯O hydrogen bonds.
Abstract: In the cystal structure of the title compound, (2-hy­droxy­ethyl)trimethylammonium dihydrogen phosphate, C5H14NO+·H2PO4−, two anions create dimeric structures via two O—H⋯O hydrogen bonds. The hydrogen-bonded dimers are connected by another O—H⋯O hydrogen bond with the hydroxyl groups of the cations, constructing a columner structure along the a axis. A number of C—H⋯O interactions are also present.

Journal ArticleDOI
TL;DR: In the title compound [systematic name 5-deoxy-5-fluoro-N-(pentyloxycarbonyl)cytidine], C15H22FN3O6, the pentyl chain is disordered over two positions with refined occupancies of 0.53”(5) and 0.47 (5).
Abstract: In the title compound [systematic name 5-de­oxy-5-fluoro-N-(pent­yloxycarbon­yl)cytidine], C15H22FN3O6, the pentyl chain is disordered over two positions with refined occupancies of 0.53 (5) and 0.47 (5). The furan ring assumes an envelope conformation. In the crystal, inter­molecular N—H⋯O hydrogen bonds link the mol­ecules into chains propagating along the b axis. The crystal packing exhibits electrostatic inter­actions between the 5-fluoro­pyrimidin-2(1H)-one fragments of neighbouring mol­ecules as indicated by short O⋯C [2.875 (3) and 2.961 (3) A] and F⋯C [2.886 (3) A] contacts.

Journal ArticleDOI
TL;DR: In the tetranuclear centrosymmetric title compound, [Pb4(NO3)8(C11H10N2)4], irregular PbN2O5 and Pbn2O4 coordination polyhedra occur.
Abstract: In the tetranuclear centrosymmetric title compound, [Pb4(NO3)8(C11H10N2)4], irregular PbN2O5 and PbN2O4 coordination polyhedra occur. The hepta­coordinated lead(II) ion is bonded to two bidentate and one monodentate nitrate ion and one bidentate 6-methyl-2,2′-bipyridine (mbpy) ligand. The six-coordinate lead(II) ion is bonded to one bidentate and two monodentate nitrate anions and one mbpy ligand. In the crystal, bridging nitrate anions lead to infinite chains propagating in [111]. A number of C—H⋯O hydrogen bonds may stabilize the structure.

Journal ArticleDOI
TL;DR: In the title compound, C16H16N2O3, the benzohydrazide group is not planar and the molecule exists in a trans configuration with respect to the methylidene unit, where the dihedral angle between the two substituted benzene rings is 26.9 (2)°.
Abstract: In the title compound, C16H16N2O3, the benzohydrazide group is not planar and the mol­ecule exists in a trans configuration with respect to the methyl­idene unit The dihedral angle between the two substituted benzene rings is 269 (2)° In the crystal structure, the mol­ecular packing is stabilized by intra­molecular O—H⋯N and inter­molecular N—H⋯O hydrogen bonds The inter­molecular hydrogen bonding forms chains parallel to the b axis

Journal ArticleDOI
TL;DR: The CoII complex as discussed by the authors contains two 4-dimethyl-amino-benzoate (DMAB) anions, one isonicotinamide (INA) ligand and two coordinated water mol-ecules.
Abstract: The title CoII complex, [Co(C9H10NO2)2(C6H6N2O)(H2O)2], contains two 4-dimethyl­amino­benzoate (DMAB) anions, one isonicotinamide (INA) ligand and two coordinated water mol­ecules. One of the DMAB anions acts as a bidentate ligand, while the other is monodentate. The four O atoms in the equatorial plane around the Co atom form a highly distorted square-planar arrangement, while the distorted octa­hedral coordination geometry is completed by the N atom of the INA ligand and the O atom of the second water mol­ecule in the axial positions. An intra­molecular O—H⋯O hydrogen bond between the monodentate-coordinated carboxyl group and a coordinated water mol­ecule results in a six-membered ring with an envelope conformation. The dihedral angles between the carboxyl groups and the adjacent benzene rings are 4.29 (10)° for the monodentate ligand and 2.31 (13)° for the bidentate ligand, while the two benzene rings are oriented at a dihedral angle of 65.02 (5)°. The dihedral angles between the pyridine and benzene rings are 11.21 (5)° for the monodentate ligand and 74.60 (5)° for the bidentate ligand. In the crystal structure, inter­molecular O—H⋯O, O—H⋯N and N—H⋯O hydrogen bonds link the mol­ecules into a supra­molecular structure.

Journal ArticleDOI
TL;DR: The title compound, C16H17NO, is a Schiff base which adopts the phenol–imine tautomeric form in the solid state and is stabilized by an intramolecular O—H⋯N hydrogen bond which generates a six membered ring.
Abstract: The title compound, C16H17NO, is a Schiff base which adopts the phenol–imine tautomeric form in the solid state. The mol­ecule is almost planar, with a dihedral angle of 4.61 (4)° between the aromatic rings. The molecular structure is stabilized by an intramolecular O—H⋯N hydrogen bond which generates a six membered ring.

Journal ArticleDOI
TL;DR: The MnII complex as discussed by the authors contains two 4-(dimethylamino)benzoate (DMAB) anions, one isonicotinamide (INA) ligand and two coordinated water mol-ecules.
Abstract: The title MnII complex, [Mn(C9H10NO2)2(C6H6N2O)(H2O)2], contains two 4-(dimethylamino)benzoate (DMAB) anions, one isonicotinamide (INA) ligand and two coordinated water mol­ecules. One of the DMAB anions acts as a bidentate ligand, while the other is monodentate. The four O atoms in the equatorial plane around the Mn atom form a highly distorted square-planar arrangement, while the distorted octa­hedral coordination geometry is completed by the N atom of the INA ligand and the O atom of the second water mol­ecule in the axial positions. In the crystal structure, strong inter­molecular O—H⋯O, O—H⋯N and N—H⋯O hydrogen bonds link the mol­ecules into a two-dimensional network parallel to (010). Two weak C—H⋯π inter­actions are also found.

Journal ArticleDOI
TL;DR: The asymmetric unit of the title Cd(II) complex contains two 4-formyl-benzoate (FB), two isonicotinamide (INA) ligands, one coordinated and one uncoordinated water mol-ecule; the FB ions act as bidentate ligands.
Abstract: The asymmetric unit of the title CdII complex, [Cd(C8H5O3)2(C6H6N2O)2(H2O)]·H2O, contains two 4-formyl­benzoate (FB), two isonicotinamide (INA) ligands, one coordinated and one uncoordinated water mol­ecule; the FB ions act as bidentate ligands The coordination number of the Cd(II) atom is seven within a CdO5N2 donor set Intra­molecular O—H⋯O hydrogen bonds link the uncoordinated water mol­ecules to the carboxyl groups The dihedral angle between the carboxyl­ate groups and the adjacent benzene rings are 1753 (13) and 1655 (14)° In the crystal structure, inter­molecular O—H⋯O, N—H⋯O, N—H⋯N and C—H⋯O hydrogen bonds link the mol­ecules into a supra­molecular structure The amide group of one of the INA ligands is disordered over two orientations, with an occupancy ratio of 0759 (3):0241 (3)

Journal ArticleDOI
TL;DR: In the title complex, [Ni(C21H24N2O4)]·1.78H2O, the NiII ion has a slightly distorted planar geometry, coordinated by the two N and two O atoms of the tetradentate Schiff base ligand, with a mean deviation of 0.272 Å from the NiN2 O2 plane.
Abstract: In the title complex, [Ni(C21H24N2O4)]·1.78H2O, the NiII ion has a slightly distorted planar geometry, coordinated by the two N and two O atoms of the tetra­dentate Schiff base ligand, with a mean deviation of 0.272 A from the NiN2O2 plane. The N and O donor atoms are mutually cis. The dihedral angle between two benzene rings of the ligand is 38.86 (8)°. There are also three solvent water mol­ecules, two of which lie across different crystallographic twofold rotation axes; one of these is partially occupied with a refined occupancy factor of 0.570 (7). The water mol­ecules are linked together as tetra­mers in R22(8) ring motifs, which also connect two neighbouring mol­ecules of the complex through a network of O—H⋯O hydrogen bonds. The crystal structure is further stabilized by inter­molecular C—H⋯O and C—H⋯π inter­actions, which link neighbouring mol­ecules into extended chains along the b axis. Other inter­esting features of the crystal structure are the short inter­molecular C⋯C [3.204 (3)–3.365 (3) A] and the C⋯O [3.199 (2)–3.205 (2) A] contacts which are shorter than the sum of the van der Waals radii of these atoms.

Journal ArticleDOI
TL;DR: In the monomeric title complex, the MnII atom is located on a crystallographic centre of inversion, the asymmetric unit contains one 2-chlorobenzoate ligand, one diethylnicotinamide (DENA) ligand and one coordinated water molecule, all ligands being monodentate.
Abstract: In the monomeric title complex, [Mn(C7H4ClO2)2(C10H14N2O)2(H2O)2], the MnII atom is located on a crystallographic centre of inversion. The asymmetric unit contains one 2-chloro­benzoate (CB) ligand, one diethyl­nicotinamide (DENA) ligand and one coordinated water mol­ecule, all ligands being monodentate. The four O atoms in the equatorial plane around the Mn atom form a slightly distorted square-planar arrangement, while the slightly distorted octa­hedral coordination is completed by the two pyridine N atoms of the DENA ligands in the axial positions. The dihedral angle between the carboxyl group and the adjacent benzene ring is 77.9 (11)°, while the pyridine and benzene rings are oriented at a dihedral angle of 45.94 (5)°. In the crystal structure, inter­molecular O—H⋯O hydrogen bonds link the mol­ecules into infinite chains.

Journal ArticleDOI
TL;DR: In the molecule of the title compound, [HgBr2(C14H12N2)], the HgII atom is four-coordinated in a distorted tetrahedral configuration by two N atoms from a 2,9-dimethyl-1,10-phenanthroline ligand and by two Br atoms.
Abstract: In the mol­ecule of the title compound, [HgBr2(C14H12N2)], the HgII atom is four-coordinated in a distorted tetra­hedral configuration by two N atoms from a 2,9-dimethyl-1,10-phenanthroline ligand and by two Br atoms. In the crystal structure, weak inter­molecular C—H⋯Br hydrogen bonds link the mol­ecules into chains along the b axis. There are π–π contacts between the phenanthroline rings [centroid–centroid distances = 3.806 (4), 3.819 (4), 3.739 (3), 3.690 (3), 3.619 (4) and 3.674 (3) A].

Journal ArticleDOI
TL;DR: Crystals of the title compound, C57H85N9O9·CH4O, the methanol solvate of a nine peptide polypeptide, cyclo-(Pro-Pro- Phe-Phe-Leu-Ile-I Le-Lei-Val), were obtained after separation of the cyclic peptide from flax oil.
Abstract: Crystals of the title compound, C57H85N9O9·CH4O, the methanol solvate of a nine peptide polypeptide, cyclo-(Pro-Pro-Phe-Phe-Leu-Ile-Ile-Leu-Val), were obtained after separation of the cyclic peptide from flax oil. The cyclo­linopeptide A (CLP-A) mol­ecules are linked in chains along the a axis by N—H⋯O hydrogen bonds. Each methanol O atom is hydrogen bonded to one O atom and two N—H groups in the same CLP-A mol­ecule. There are a total of eight hydrogen bonds in each CLP-A–MeOH unit.

Journal ArticleDOI
TL;DR: The molecule of the title heteroaryl chalcone, C16H16O4S, which consists of substituted thiophene and benzene rings bridged by the prop-2-en-1-one group, is slightly twisted.
Abstract: The mol­ecule of the title heteroaryl chalcone, C16H16O4S, which consists of substituted thio­phene and benzene rings bridged by the prop-2-en-1-one group, is slightly twisted. The dihedral angle between the thio­phene and 3,4,5-trimethoxy­phenyl rings is 12.18 (4)°. The three meth­oxy groups have two different conformations; two meth­oxy groups are coplanar [C—O—C—C torsion angles = −1.38 (12) and 0.47 (12)°] whereas the third is (-)-synclinal with the benzene ring. In the crystal structure, adjacent mol­ecules are linked in a face-to-side manner into chains along the c axis by weak C—H⋯O(enone) inter­actions. These chains are stacked along the b axis by weak C—H⋯O(meth­oxy) inter­actions.

Journal ArticleDOI
TL;DR: The molecule adopts the enol–imine tautomeric form with an intramolecular hydrogen-bonding interaction between the Schiff base N atom and the hydroxy group, and in the crystal, intermolecular N—H⋯O and O—H–O hydrogen bonds link the molecules into a three-dimensional network.
Abstract: All the non-H atoms of the title compound, C10H10N4O3, are almost coplanar, the maximum deviation from planarity being 0.065 (3) A. The dihedral angle between the aromatic rings is 1.66 (6)°. The mol­ecule adopts the enol–imine tautomeric form with an intra­molecular hydrogen-bonding inter­action between the Schiff base N atom and the hydr­oxy group. In the crystal, inter­molecular N—H⋯O and O—H⋯O hydrogen bonds link the mol­ecules into a three-dimensional network.

Journal ArticleDOI
TL;DR: The asymmetric unit in the title compound, C5H5NO, comprises two independent but virtually identical molecules of 2-pyridone, and represents a monoclinic polymorph of the previously reported orthorhombic form.
Abstract: The asymmetric unit in the title compound, C5H5NO, comprises two independent but virtually identical mol­ecules of 2-pyridone, and represents a monoclinic polymorph of the previously reported ortho­rhom­bic (P212121) form [Penfold (1953). Acta Cryst. 6, 591–600; Ohms et al. (1984). Z. Kristallogr. 169, 185–200; Yang & Craven (1998). Acta Cryst. B54, 912–920]. The independent mol­ecules are linked into supra­molecular dimers via eight-membered {⋯HNC(O)}2 amide synthons in contrast to the helical supra­molecular chains, mediated by {⋯HNC(O)} links, found in the ortho­rhom­bic form.

Journal ArticleDOI
TL;DR: The Ir centre in the title complex, [Ir(C11H6F2N)2(C6H4NO2)], is six-coordinated in a slightly distorted octahedral IrC2N3O fashion.
Abstract: The Ir centre in the title complex, [Ir(C11H6F2N)2(C6H4NO2)], is six-coordinated in a slightly distorted octa­hedral IrC2N3O fashion.

Journal ArticleDOI
TL;DR: The title organic salt was synthesized from cytosine base and maleic acid, giving rise to a nearly planar two-dimensional network parallel to (101), and an intramolecular O—H⋯O hydrogen bond occurs in the hydrogen maleate anion.
Abstract: The title organic salt, C4H6N3O+·C4H3O4−·C4H5N3O, was synthesized from cytosine base and maleic acid. An intra­molecular O—H⋯O hydrogen bond occurs in the hydrogen maleate anion. The crystal packing is stabilized by inter­molecular N—H⋯O, N—H⋯N and C—H⋯O hydrogen bonds, giving rise to a nearly planar two-dimensional network parallel to (101).