Unknown

Dataset Information

0

5-[4-(1H-Imidazol-1-yl)phen-yl]-2H-tetra-zole dihydrate.

ABSTRACT: In the title compound, C(10)H(8)N(6)·2H(2)O, the central aromatic ring makes dihedral angles of 23.59?(15) and 16.99?(16)° with the terminal imidazole and tetra-zole rings, respectively, which are themselves almost coplanar [dihedral angle = 6.61?(18)°]. Two H atoms of the two water mol-ecules are half occupied. In the crystal packing, weak inter-molecular O-H?N, O-H?O and N-H?N hydrogen bonds and ?-? stacking inter-actions [centroid-centroid distances of 3.73?(4)?Å between benzene rings and 3.66?(3)?Å between imidazole and tetra-zole rings] are observed.

SUBMITTER: Zhang YH 

PROVIDER: S-EPMC3120333 | biostudies-literature | 2011 Jun

REPOSITORIES: biostudies-literature

Json Xml
altmetric image

Publications

5-[4-(1H-Imidazol-1-yl)phen-yl]-2H-tetra-zole dihydrate.

Zhang Yan-Hua YH   Tian Da-Min DM  

Acta crystallographica. Section E, Structure reports online 20110528 Pt 6

In the title compound, C(10)H(8)N(6)·2H(2)O, the central aromatic ring makes dihedral angles of 23.59 (15) and 16.99 (16)° with the terminal imidazole and tetra-zole rings, respectively, which are themselves almost coplanar [dihedral angle = 6.61 (18)°]. Two H atoms of the two water mol-ecules are half occupied. In the crystal packing, weak inter-molecular O-H⋯N, O-H⋯O and N-H⋯N hydrogen bonds and π-π stacking inter-actions [centroid-centroid distances of 3.73 (4) Å between benzene rings and 3.6  ...[more]

Similar Datasets

Unknown 5-[4-(1H-Imidazol-1-yl)phen-yl]-1H-tetra-zole.
| S-EPMC3344427 | biostudies-literature
Unknown 5,5'-(Butane-1,4-di-yl)bis-(1H-tetra-zole) dihydrate.
| S-EPMC3011479 | biostudies-literature
Unknown 1-(4-Chloro-phen-yl)-1H-1,2,3,4-tetra-zole.
| S-EPMC3344479 | biostudies-literature
Unknown 5-(2-Methyl-5-nitro-phen-yl)-1H-tetra-zole.
| S-EPMC2959255 | biostudies-literature
Unknown 5-(4-Methyl-3-nitro-phen-yl)-1H-tetra-zole.
| S-EPMC2962076 | biostudies-literature
Unknown 2-(1H-Imidazol-1-yl)-4-[3-(trifluoro-meth-yl)phen-yl]-1,3-thia-zole.
| S-EPMC3569771 | biostudies-literature
Unknown 5-{4'-[(5-Benzyl-2H-tetra-zol-2-yl)meth-yl]biphenyl-2-yl}-1H-tetra-zole monohydrate.
| S-EPMC3648274 | biostudies-literature
Unknown 1-(4-Carb-oxy-phen-yl)-1H-imidazol-3-ium chloride dihydrate.
| S-EPMC3051584 | biostudies-literature
Unknown Ethane-1,2-diaminium bis-{5-[4-(1H-tetra-zol-5-yl)phen-yl]tetra-zolide} dihydrate.
| S-EPMC3200657 | biostudies-literature
Unknown (E)-Ethyl 2-cyano-3-[4-(4,5-diphenyl-1H-imidazol-2-yl)phen-yl]acrylate dihydrate.
| S-EPMC3052040 | biostudies-literature