J. Appl. Cryst.の発刊に際して

https://www.pnas.org/content/pnas/90/5/1635.full.pdf

Supramolecular chemistry.

Identification of antibacterial and antifungal pharmacophore sites for potent bacteria and fungi inhibition: indolenyl sulfonamide derivatives.

Polymorphism and solvatomorphism 2010.

Electrocatalytic oxidation and detection of hydrazine at carbon nanotube-supported palladium nanoparticles in strong acidic solution conditions

The asymmetric unit of the title compound [systematic name: aqua­bis(2,4,6-trinitro­phenolato)(3,6,9-trioxaundecane-1,11-diol)gadolinium(III) 2,4,6-trinitro­phenolate methanol hemi­solvate], [Gd(C6H2N3O7)2(C8H18O5)(H2O)](C6H2N3O7)·0.5CH4O, contains two crystallographically independent GdIII complex cations with two uncoordinated picrate anions and one methanol mol­ecule. Each GdIII atom has nine coordination sites occupied by five O atoms of tetra­ethyl­ene glycol as a penta­dentate ligand, one O atom of a water mol­ecule and three O atoms of the two picrate anions as bidentate and monodentate ligands. The geometry is distorted tricapped trigonal prismatic. The mean planes of the two coordinated mono- and bidentate picrate ligands to the GdIII center are almost perpendicular to each other, as indicated by the dihedral angles of 89.92 (8) and 86.60 (8)° in the two complex cations. The ions are arranged in a two-dimensional network parallel to the ac plane. Short O⋯O and N⋯O contacts between the nitro groups, intra­molecular C—H⋯O hydrogen bonds, inter­molecular O—H⋯O, O—H⋯N and C—H⋯O hydrogen bonds, and two π–π inter­actions between benzene rings [centroid–centroid distances = 3.8073 (10)–3.9831 (10) A] are observed. The methanol solvent mol­ecule is disordered over two positions, with site-occupancy factors of ca 0.6 and 0.4.

https://journals.iucr.org/e/issues/2008/09/00/is2323/is2323.pdf

Aqua-dipicrato(tetra-ethyl-ene glycol)gadolinium(III) picrate methanol hemisolvate.

The asymmetric unit of the title compound, C22H20N2O4·H2O, comprises a substituted benzimidazole molecule and a water mol­ecule of crystallization. The dihedral angles between the benzimidazole ring system and the two outer benzene rings are 16.54 (4) and 86.13 (4)°. The dihedral angle between the two hydr­oxy-substituted benzene rings is 82.20 (5)°. In the crystal structure, inter­molecular O—H⋯O hydrogen bonds, involving the hydr­oxy groups and water mol­ecules, form R44(8) ring motifs, and link symmetry-related mol­ecules into extended chains along the c axis. The crystal structure is further stabilized by weak inter­molecular C—H⋯O hydrogen bonds, weak C—H⋯π and π–π stacking [centroid–centroid = 3.6495 (6)–3.7130 (6) A] inter­actions. Intra­molecular O—H⋯O and O—H⋯N inter­actions are also present.

https://journals.iucr.org/e/issues/2009/04/00/lh2793/lh2793.pdf

2-[1-(2-Hydroxy-3-methoxybenzyl)-1H-benzimidazol-2-yl]-6-methoxyphenol monohydrate.

The title Schiff base compound, C21H26N2O4, is a second triclinic polymorph of a previously reported room-temperature structure [Jia (2009). Acta Cryst. E65, o646]. Strong intra­molecular O—H⋯N hydrogen bonds generate S(6) ring motifs. Inter­molecular C—H⋯O inter­actions link neighbouring mol­ecules into dimers with an R22(16) ring motif. The mean planes of the two benzene rings are almost perpendicular to each other, making a dihedral angle of 88.24 (5)°. An inter­esting feature of the crystal structure is the intermolecular short C⋯O [3.1878 (13) A] contact which is shorter than the sum of the van der Waals radii of the relevant atoms. The crystal structure is further stabilized by inter­molecular C—H⋯π and π–π inter­actions [centroid–centroid distance = 3.7414 (6) A]. The structure has a stereogenic centre but the space group is centrosymmetric, so the mol­ecule exists as a racemate.

https://journals.iucr.org/e/issues/2009/04/00/at2736/at2736.pdf

A second tricilinc polymorph of 6,6'-dieth-oxy-2,2'-[propane-1,2-diylbis(nitrilo-methyl-idyne)]diphenol.

In the title compound, C22H14N4, a new substituted benzimidazole, three inter­molecular C—H⋯N inter­actions link neighbouring mol­ecules into different dimers with R22(12), R22(8) and R22(24) ring motifs. A fourth C—H⋯N inter­action links neighbouring mol­ecules along the c axis. There is also a short inter­molecular contact between the azomethine (C=N) segment of the benzimidazole ring and one of the C atoms of a neighbouring benzene ring [N⋯C = 3.191 (5), C⋯C = 3.364 (6) A], which links the mol­ecules along the a axis. The two cyano­benzene rings are almost perpendicular to each other, with an inter­planar angle of 87.70 (7)°. The dihedral angles between the mean planes of the benzimidazole ring and the two outer benzene rings are 36.27 (16) and 86.70 (16)°. In the crystal structure, mol­ecules are stacked down the a axis with centroid–centroid distances of 3.906 (2)–3.912 (2) A and inter­planar distances of 3.5040 (17) and 3.6235 (17) A.

https://journals.iucr.org/e/issues/2009/04/00/zl2173/zl2173.pdf

4-[1-(4-Cyano-benz-yl)-1H-benzimidazol-2-yl]benzonitrile.

The title compound, C22H20N2O4·2CHCl3, a new Schiff base compound, lies across a crystallographic inversion centre. An intra­molecular O—H⋯N hydrogen bond generates a six-membered ring, producing an S(6) ring motif. Inter­molecular bifurcated C—H⋯O hydrogen bonds involving the two O atoms of the Schiff base ligand and the H atom of the chloro­form solvent of crystallization, generate an R21(5) ring motif. The crystal structure is stabilized by inter­molecular C—H⋯π and π–π inter­actions [centroid to centroid distance = 3.6158 (10) A]. In the crystal structure, mol­ecules are stacked down the c axis.

https://journals.iucr.org/e/issues/2009/04/00/at2731/at2731.pdf

Reza Kia

Papers

Aqua-dipicrato(tetra-ethyl-ene glycol)gadolinium(III) picrate methanol hemisolvate.

2-[1-(2-Hydroxy-3-methoxybenzyl)-1H-benzimidazol-2-yl]-6-methoxyphenol monohydrate.

A second tricilinc polymorph of 6,6'-dieth-oxy-2,2'-[propane-1,2-diylbis(nitrilo-methyl-idyne)]diphenol.

4-[1-(4-Cyano-benz-yl)-1H-benzimidazol-2-yl]benzonitrile.

6,6′-Dimethoxy-2,2′-[p-phenylenebis(nitrilomethylidyne)]diphenol chloroform disolvate

Reza Kia

Papers

Aqua-dipicrato(tetra-ethyl-ene glycol)gadolinium(III) picrate methanol hemisolvate.

2-[1-(2-Hydroxy-3-methoxybenzyl)-1H-benzimidazol-2-yl]-6-methoxyphenol monohydrate.

A second tricilinc polymorph of 6,6'-dieth-oxy-2,2'-[propane-1,2-diylbis(nitrilo-methyl-idyne)]diphenol.

4-[1-(4-Cyano-benz-yl)-1H-benzimidazol-2-yl]benzonitrile.

6,6′-Dimeth­oxy-2,2′-[p-phenyl­ene­bis(nitrilo­methyl­idyne)]diphenol chloro­form disolvate

6,6′-Dimethoxy-2,2′-[p-phenylenebis(nitrilomethylidyne)]diphenol chloroform disolvate