4-{5-[(2-Bromobenzyl)sulfanyl]-1H-tetrazol-1-yl}benzoic acid

In the title compound, C15H11BrN4O2S, the tetrazole ring makes dihedral angles of 45.97 (10) and 75.41 (1)°, respectively, with the benzoyl and bromobenzene rings while the dihedral angle between the benzene rings is 73.77 (1)°. In the crystal, molecul...

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Bibliographic Details
Main Authors: Ana C. Mafud, Yvonne P. Mascarenhas, Alessandro S. Nascimento
Format: Article
Language:English
Published: International Union of Crystallography 2013-07-01
Series:Acta Crystallographica Section E
Online Access:http://scripts.iucr.org/cgi-bin/paper?S1600536813014840
Description
Summary:In the title compound, C15H11BrN4O2S, the tetrazole ring makes dihedral angles of 45.97 (10) and 75.41 (1)°, respectively, with the benzoyl and bromobenzene rings while the dihedral angle between the benzene rings is 73.77 (1)°. In the crystal, molecules 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 interactions and also by π–π stacking between tetrazole rings [centroid–centroid distance = 3.312 (1) Å], generating a three-dimensional network.
ISSN:1600-5368