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

dc.creatorMafud, Ana C.
dc.creatorMascarenhas, Yvonne Primerano
dc.creatorNascimento, Alessandro Silva
dc.date.accessioned2014-05-15T22:49:46Z
dc.date.accessioned2018-07-04T16:45:58Z
dc.date.available2014-05-15T22:49:46Z
dc.date.available2018-07-04T16:45:58Z
dc.date.created2014-05-15T22:49:46Z
dc.date.issued2013-07
dc.identifierActa Crystallographica E,Chester : International Union of Crystallography - IUCr, v. 69, part 7, p. o1083-o1084 + supplementary materials: sup1-sup7, July 2013
dc.identifier1600-5368
dc.identifierhttp://www.producao.usp.br/handle/BDPI/44858
dc.identifier10.1107/S1600536813014840
dc.identifier.urihttp://repositorioslatinoamericanos.uchile.cl/handle/2250/1640067
dc.description.abstractIn 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 [110] directions. These chains are further connected by C- Br 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.
dc.languageeng
dc.publisherInternational Union of Crystallography - IUCr
dc.publisherChester
dc.relationActa Crystallographica E
dc.rightsopenAccess
dc.subjectSingle-crystal X-ray study
dc.subjectT = 290 K
dc.subjectR factor = 0.041
dc.subjectwR factor = 0.114
dc.subjectData-to-parameter ratio = 13.6
dc.title4-{5-[(2-Bromobenzyl)sulfanyl]-1H-tetrazol- 1-yl}benzoic acid
dc.typeArtículos de revistas


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