Showing papers by "P A College of Engineering published in 2007"
TL;DR: Eight novel 2-bromo-5-methoxy-N'-[4-(aryl)-1,3-thiazol-2-yl]benzohydrazide derivatives prepared and characterized by analytical and spectral analyses exhibited promising analgesic activity and one compound exhibited in vitro antiproliferative activity.
86 citations
TL;DR: The title compound, C19H22N2O2, is a Schiff base whose molecular conformation is stabilized by an O-(HN)-N-... hydrogen bond as mentioned in this paper.
Abstract: The title compound, C19H22N2O2, is a Schiff base. Its molecular conformation is stabilized by an O-(HN)-N-... hydrogen bond. The crystal packing is characterized by C-H-...pi and pi-pi interactions.
10 citations
TL;DR: C23H24O5 as discussed by the authors, a bis(3,4-dimethoxyphenyl)cyclopentanone derivative related to curcumin, shows non-crystallographic C-2v symmetry with two non-covariant mirror planes intersecting the cyclopentane ring, resulting in a twofold axis along the C = O double bond.
Abstract: The title compound, C23H24O5, a bis(3,4-dimethoxyphenyl)cyclopentanone derivative related to curcumin, shows noncrystallographic C-2v symmetry with two noncrystallographic mirror planes intersecting the cyclopentanone ring, resulting in a noncrystallographic twofold axis along the C = O double bond. The molecule is basically planar, the angles between the planes of the cyclopentanone ring and those of the two benzene rings being 2.5 (3) and 1.2 (7)degrees. The dihedral angles of both methoxy groups with the benzene rings are nearly identical 179.05 (11), 177.88 (11), -172.51 (12) and 176.11 (13)degrees]. The two 3,4-dimethoxyphenyl groups also lie within the plane of the molecule and the angle between them is 1.4 (1)degrees. The crystal packing is stabilized by intermolecular C-H center dot center dot center dot O hydrogen bonds.
9 citations
TL;DR: The title compound, C18H13BrO2S, is chiral due to the twist of the naphthalene and thienyl rings about the chalcone backbone dihedral angle = 1775 (10)degrees as mentioned in this paper.
Abstract: The title compound, C18H13BrO2S, is chiral due to the twist of the naphthalene and thienyl rings about the chalcone backbone dihedral angle = 1775 (10)degrees] There are weak C - H center dot center dot center dot O interactions which link the molecules into chains in the b direction
7 citations
TL;DR: Chandrasekharan and Mallikarjunan as discussed by the authors have confirmed the crystal structures of the title compound, C6H14NO5+ center dot Cl-, and the H atoms located, allowing the elucidaton of the hydrogen bonding network.
Abstract: The previously reported crystal structures Chu & Jeffery (1965). Proc. R. Soc. London Ser. A, 285, 470 - 479; Chandrasekharan & Mallikarjunan (1969). Z. Kristallogr. 129, 29] of the title compound, C6H14NO5+ center dot Cl-, have been confirmed to higher precision, and the H atoms located, allowing the elucidaton of the hydrogen- bonding network. A combination of O - H center dot center dot center dot O, N - H center dot center dot center dot O, O - H center dot center dot center dot Cl and N - H center dot center dot center dot Cl links results in a three- dimensional network. Considered by themselves, the inter- cation O - H O and N - H center dot center dot center dot O hydrogen bonds result in undulating (001) layers. The configurations of the chiral C atoms are: C1 S, C2 R, C3 R, C4 S and C5 R.
7 citations
TL;DR: In this paper, the title compound, C15H12BrN3O4, a Schiff base, is described and the crystal packing is stabilized by N −H⋯O hydrogen bonds.
Abstract: Geometric parameters of the title compound, C15H12BrN3O4, a Schiff base, are in the usual ranges. There are two molecules in the asymmetric unit, differing in the dihedral angles between the aromatic rings and the central CO—NH—N=C unit. Furthermore, the Car—Car—O—CH3 torsion angles differ by almost 180°. The crystal packing is stabilized by N—H⋯O hydrogen bonds.
6 citations
TL;DR: In this paper, the authors describe C9H12N2S, a compound whose crystal packing is stabilized by N-H center dot center dot S hydrogen bonds linking the molecules into layers perpendicular to the c axis.
Abstract: The geometric parameters of the title compound, C9H12N2S, are in the usual ranges. The thiourea group is almost perpendicular to the aromatic ring dihedral angle = 80.75 ( 7)degrees]. The crystal packing is stabilized by N-H center dot center dot center dot S hydrogen bonds linking the molecules into layers perpendicular to the c axis. Only two of the three amino H atoms are involved in hydrogen bonding.
5 citations
TL;DR: The title compound, C20H17BrO5S, crystallizes as a racemate as mentioned in this paper, and the dihedral angle between the thiophene and benzene rings is 66.91 (13)degrees.
Abstract: The title compound, C20H17BrO5S, crystallizes as a racemate. The dihedral angle between the thiophene and benzene rings is 66.91 (13)degrees.
5 citations
TL;DR: The title compound, C15H14BrNOS, crystallizes with two mol-ecules in the asymmetric unit as mentioned in this paper, which form dimers held together by weak C-H⋯O inter-actions.
Abstract: The title compound, C15H14BrNOS, crystallizes with two molecules in the asymmetric unit. One of the two molecules forms dimers held together by weak C—H⋯O interactions. The twist angles between the thienyl and benzene rings are 2.70 (16) and 4.76 (18)°, smaller than usually observed in chalcone derivatives.
5 citations
TL;DR: The crystal packing of the title compound, C15H12BrFN2O2·H2O, is stabilized by N−H⋯O and O−HόO hydrogen bonds.
Abstract: The crystal packing of the title compound, C15H12BrFN2O2·H2O, is stabilized by N—H⋯O and O—H⋯O hydrogen bonds. There are two molecules in the asymmetric unit, differing in the dihedral angle between the two aromatic rings, which are 62.3 (2) and 49.9 (2)°.
4 citations
TL;DR: The title compound, C14H13BrO3, is an intermediate in the preparation of naproxen, a non-steroidal anti-inflammatory drug (NSAID) as mentioned in this paper.
Abstract: The title compound, C14H13BrO3, is an intermediate in the preparation of naproxen, a non-steroidal anti-inflammatory drug (NSAID). Geometric parameters are in the usual ranges. Neglecting the H atoms, the molecule comprises two planar halves, the bromonaphthyl moiety (r.m.s. deviation = 0.010 A) and the ethoxycarbonylmethoxy moiety (r.m.s. deviation = 0.018 A). The dihedral angle between these is 79.23 (7)°. The crystal packing is stabilized by a weak C—H⋯O hydrogen bond.
TL;DR: The title compound, C18H16O, features two conjugate double bonds, both in E conformations, and is essentially planar: the dihedral angle between the two phenyl groups is 9.4 ( 1)degrees.
Abstract: The title compound, C18H16O, features two conjugate double bonds, both in E conformations. The molecule is essentially planar: the dihedral angle between the two phenyl groups is 9.4 ( 1)degrees.
TL;DR: The C15H16N2O2 crystal packing is characterized by chains of mol-ecules connected by N-H⋯O hydrogen bonds running along the c axis as discussed by the authors.
Abstract: The geometric parameters of the title compound, C15H16N2O2, are in the usual ranges. The molecule is almost planar; only the torsion angles about the N—N bond [164.11 (15)°] and the C—C bond between the naphthyl and the amide group [C—C—C—O = − 157.24 (15)°] differ significantly from 0 or 180°. The crystal packing is characterized by chains of molecules connected by N—H⋯O hydrogen bonds running along the c axis.
TL;DR: The oxazine ring in the title compound, C26H22BrNO3, adopts a half-chair conformation as discussed by the authors, where the amino H atom is not involved in a classical hydrogen bond, but there is a weak N-H⋯π inter-action to the centre of an aromatic ring.
Abstract: The oxazine ring in the title compound, C26H22BrNO3, adopts a half-chair conformation. The amino H atom is not involved in a classical hydrogen bond, but there is a weak N—H⋯π interaction to the centre of an aromatic ring.
TL;DR: The geometric parameters of the title compound, C4H3BrN2O, are in the usual ranges as discussed by the authors, and the crystal packing is characterized by N-H center dot centre dot center dot center center dot N and C-H centers dot center centre dot centre center dot O hydrogen bonds.
Abstract: The geometric parameters of the title compound, C4H3BrN2O, are in the usual ranges. The crystal packing is characterized by N-H center dot center dot center dot N and C-H center dot center dot center dot O hydrogen bonds and short O center dot center dot center dot Br contacts.
TL;DR: The geometric parameters of the title compound, C20H16O2, are in the usual ranges as discussed by the authors, except that the central double bond is trans configured and the two C atoms are slightly twisted out of the naphthyl plane.
Abstract: The geometric parameters of the title compound, C20H16O2, are in the usual ranges. The central double bond is trans configured. Its two C atoms are slightly twisted out of the naphthyl plane. The dihedral angle between the aromatic groups is 14.09 (8)degrees.
TL;DR: The ester group of the title compound, C9H9BrO2, is only slightly twisted out of the plane of the central aromatic ring as mentioned in this paper, and the geometric parameters are in the usual ranges.
Abstract: The ester group of the title compound, C9H9BrO2, is only slightly twisted out of the plane of the central aromatic ring. Geometric parameters are in the usual ranges.
TL;DR: The crystal packing of the title compound, C9H11N3OS, is stabilized by two N-H⋯O hydrogen bonds as discussed by the authors, but one of the amino H atoms is not involved in a classical hydrogen bond.
Abstract: The crystal packing of the title compound, C9H11N3OS, is stabilized by two N—H⋯O hydrogen bonds. One of the amino H atoms is not involved in a classical hydrogen bond. The methyl group is disordered over two positions with almost equal occupancies.
TL;DR: The structure of the title compound, C13H10Cl2N2S, has already been determined at room temperature as mentioned in this paper, but the positions of the H atoms were not provided.
Abstract: The structure of the title compound, C13H10Cl2N2S, has already been determined at room temperature SorianoGarci a, Chavez, Cedillo, Perez & Hernandez ( 2001). Anal. Sci. 17, 799-800]. However, the positions of the H atoms were not provided. Thus, we present here the complete structure determined from data at low temperature ( 173 K). The molecules are connected via bifurcated N-H center dot center dot center dot S hydrogen bonds to form zigzag chains running along the b axis. The title compound is isomorphous with 1,3-bis(4-bromophenyl) thiourea.
23 Jul 2007
TL;DR: In this article, the dihedral angle between the pyrazolopyrimidine system and the phenyl ring is 4.64°(5)° and the non-H atoms of the ester side chain lie in a common plane (r.m.s. deviation = 0.028
Abstract: Geometric parameters of the title compound, C14H12N4O3, a pyrazolopyrimidine derivative, are in the usual ranges. The dihedral angle between the pyrazolopyrimidine system and the phenyl ring is 4.64 (5)°. The non-H atoms of the ester side chain lie in a common plane (r.m.s. deviation = 0.028 A) and this plane is almost perpendicular [77.69 (4)°] to the central ring system.
TL;DR: In this paper, a Schiff base was synthesized by a condensation reaction of 6-methoxy-2-naphthohydrazide and 4-fluorobenzaldehyde.
Abstract: N'-[(1E)-(4-Fluorophenyl)methylene]-6-methoxy-2-naphthohydrazide, C19H15FN2O2, is a Schiff base which was synthesized by a condensation reaction of 6-methoxy-2-naphthohydrazide and 4-fluorobenzaldehyde. The mol. is almost planar with the C=N double bond in a trans configuration. The crystal packing is stabilized by N-H···O H bonds that link mols. into chains running along the c axis. There are also weak C-H···O H bonds as well as C-H···I€-ring interactions in the crystal structure. Crystallog. data are given. [on SciFinder(R)]
TL;DR: In this article, the title compound, C15H10ClNO3, a chalcone derivative, is described and its geometric parameters are in the usual ranges with an interplanar distance of approximately 3.4
Abstract: Geometric parameters of the title compound, C15H10ClNO3, a chalcone derivative, are in the usual ranges. The molecules are almost planar and crystallize in stacks with an interplanar distance of approximately 3.4 A. No classical hydrogen bonds were found.
TL;DR: The geometric parameters of the title compound, C11H13BrN2O2, are in the usual ranges as mentioned in this paper, where the molcules are connected by N-H⋯O hydrogen bonds to form centrosymmetric dimers.
Abstract: The geometric parameters of the title compound, C11H13BrN2O2, are in the usual ranges. In the crystal structure, the molecules are connected by N—H⋯O hydrogen bonds to form centrosymmetric dimers.
TL;DR: The title compound, C17H12FO, a derivative of the anti-oxidant, anti-bacterial and anti-inflammatory compound curcumin, crystallizes with three independent mol-ecules (A, B and C) in the asymmetric unit.
Abstract: The title compound, C17H12FO, a derivative of the antioxidant, antibacterial and anti-inflammatory compound curcumin, crystallizes with three independent molecules (A, B and C) in the asymmetric unit. Molecule C is found to have whole-molecule disorder with an approximate 2:1 ratio of occupancies. The mean planes of the two 4-fluorophenyl groups in A, B and C form dihedral angles of 54.8 (2), 54.3 (1) and 52.4 (8)°, respectively. The angles between the mean plane of the penta-1,4-dien-3-one group and those of the two 4-fluorophenyl rings are 26.9 (3) and 33.7 (7)° in molecule A, 25.3 (1) and 34.2 (6)° in B, and 28.0 (9) and 30.8 (1)° in C. The crystal structure is stabilized by intermolecular hydrogen bonds.
TL;DR: In this paper, the two aromatic residues are almost coplanar with one another dihedral angle = 9.92 (6)degrees, and the two Br atoms at the Csp(3) atoms are in a trans conformation.
Abstract: In the title compound, C21H17Br3O3, the two aromatic residues are almost coplanar with one another dihedral angle = 9.92 ( 6)degrees]. The two Br atoms at the Csp(3) atoms are in a trans conformation.
TL;DR: The two aromatic rings of the biphenyl group of the title compound, C21H14Br2Cl2O, are not coplanar and the carbonyl group is twisted out of the plane of the adjacent dichlorophenyl ring as discussed by the authors.
Abstract: The two aromatic rings of the biphenyl group of the title compound, C21H14Br2Cl2O, are not coplanar and the carbonyl group is twisted out of the plane of the adjacent dichlorophenyl ring. The crystal packing is stabilized by C-H center dot center dot center dot O and C-H center dot center dot center dot Br contacts.
TL;DR: In this article, the C13H9BrO2S, a chalcone derivative, is described and the C C double bond is trans configured, and the crystal packing is stabilized by an O-H center dot center dot O hydrogen bond.
Abstract: Geometric parameters of the title compound, C13H9BrO2S, a chalcone derivative, are in the usual ranges. The C C double bond is trans configured. The molecule is essentially planar (r.m.s. deviation for all non-H atoms = 0.069 angstrom). The crystal packing is stabilized by an O-H center dot center dot center dot O hydrogen bond.
TL;DR: The C=C double bond in the title molcecule, C17H13Cl2NO5, is trans configured as discussed by the authors, and the dihedral angle between the two benzene rings is 47.98 (4)°.
Abstract: The C=C double bond in the title molecule, C17H13Cl2NO5, is trans configured. The dihedral angle between the two benzene rings is 47.98 (4)°.
TL;DR: The title compound, C21H16O, was prepared from biphenyl-4-carbaldehyde and acetophenone as mentioned in this paper, and it is essentially planar, but it is difficult to obtain.
Abstract: The title compound, C21H16O, was prepared from biphenyl-4-carbaldehyde and acetophenone. The molecule is essentially planar.