Unknown

Dataset Information

0

4-{5-[(2-Bromo-benz-yl)sulfan-yl]-1H-tetra-zol-1-yl}benzoic acid.

ABSTRACT: In the title compound, C15H11BrN4O2S, the tetra-zole ring makes dihedral angles of 45.97?(10) and 75.41?(1)°, respectively, with the benzoyl and bromo-benzene rings while the dihedral angle between the benzene rings is 73.77?(1)°. In the crystal, mol-ecules are linked through O-H? N and C-H? O hydrogen bonds, giving infinite chains in both the [110] and [1-10] directions. These chains are further connected by C-Br?? and C-O?? inter-actions and also by ?-? stacking between tetra-zole rings [centroid-centroid distance = 3.312?(1)?Å], generating a three-dimensional network.

SUBMITTER: Mafud AC 

PROVIDER: S-EPMC3770362 | biostudies-literature | 2013

REPOSITORIES: biostudies-literature

Json Xml
altmetric image

Publications

4-{5-[(2-Bromo-benz-yl)sulfan-yl]-1H-tetra-zol-1-yl}benzoic acid.

Mafud Ana C AC   Mascarenhas Yvonne P YP   Nascimento Alessandro S AS  

Acta crystallographica. Section E, Structure reports online 20130612 Pt 7

In the title compound, C15H11BrN4O2S, the tetra-zole ring makes dihedral angles of 45.97 (10) and 75.41 (1)°, respectively, with the benzoyl and bromo-benzene rings while the dihedral angle between the benzene rings is 73.77 (1)°. In the crystal, mol-ecules are linked through O-H⋯ N and C-H⋯ O hydrogen bonds, giving infinite chains in both the [110] and [1-10] directions. These chains are further connected by C-Br⋯π and C-O⋯π inter-actions and also by π-π stacking between tetra-zole rings [centr  ...[more]

Similar Datasets

Unknown 3-(1H-Tetra-zol-5-yl)benzoic acid.
| S-EPMC2967996 | biostudies-literature
Unknown 4-(1H-Tetra-zol-5-yl)benzoic acid monohydrate.
| S-EPMC2961711 | biostudies-literature
Unknown 2-({1-[2-(Methyl-sulfan-yl)phen-yl]-1H-tetra-zol-5-yl}sulfan-yl)acetic acid.
| S-EPMC3648285 | biostudies-literature
Unknown Bis[(1-methyl-1H-tetra-zol-5-yl)sulfan-yl]methane.
| S-EPMC3100044 | biostudies-literature
Unknown Bis[(1-methyl-1H-tetra-zol-5-yl)sulfan-yl]ethane.
| S-EPMC3151974 | biostudies-literature
Unknown Hexaaqua-magnesium(II) bis-{[2-(1-phenyl-1H-tetra-zol-5-yl)sulfan-yl]acetate}.
| S-EPMC2979576 | biostudies-literature
Unknown 2-(1H-Tetra-zol-1-yl)acetic acid monohydrate.
| S-EPMC3415003 | biostudies-literature
Unknown Monoclinic polymorph of 4-[(1H-benz-imidazol-1-yl)meth-yl]benzoic acid.
| S-EPMC3201311 | biostudies-literature
Unknown 4-(1H-Tetra-zol-5-yl)-1H-indole.
| S-EPMC3008032 | biostudies-literature
Unknown 3-Phenyl-2-(1H-tetra-zol-1-yl)propanoic acid monohydrate.
| S-EPMC2983287 | biostudies-literature