4-Amino-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide-4-nitrobenzoic acid


Autoria(s): Smith, Graham; Wermuth, Urs D.
Data(s)

2012

Resumo

In the asymmetric unit of the title co-crystal, C12H14N4O2S . C7H5NO4 there are two independent but conformationally similar heterodimers, which are formed through intermolecular N-H...O(carboxy) and carboxyl O-H...N hydrogen-bond pairs, giving a cyclic motif [graph set R2/2(8)]. The dihedral angles between the rings in the sulfonamide molecules are 78.77(8) and 82.33(9)deg. while the dihedral angles between the ring and the CO2H group in the acids are 2.19(9) and 7.02(10)deg. A two-dimensional structure parallel to the ab plane is generated from the heterodimer units through hydrogen-bonding associations between NH2 and sulfone groups. Between neighbouring two-dimensional arrays there are two types of aromatic pi-pi stacking interactions involving either one of the pyrimidine rings and a 4-nitrobenzoic acid molecule [minimum ring centroid separation = 3.5886(9)A] or two acid molecules [minimum ring centroid separation = 3.7236(10)A].

Formato

application/pdf

Identificador

http://eprints.qut.edu.au/50184/

Publicador

Blackwell Publishing on behalf of IUCr

Relação

http://eprints.qut.edu.au/50184/1/SMAZPNBA.PDF

DOI:10.1107/S1600536812019563

Smith, Graham & Wermuth, Urs D. (2012) 4-Amino-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide-4-nitrobenzoic acid. Acta Crystallographica. Section E : Structure Reports Online, 68, o1649-o1650.

Direitos

Copyright 2012 Graham Smith & Urs D. Wermuth

This open-access article is distributed under the terms of the Creative Commons Attribution Licence http://creativecommons.org/licenses/by/2.0/uk/legalcode, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.

Fonte

Chancellery; Division of International and Development

Palavras-Chave #030000 CHEMICAL SCIENCE #crystal structure #cocrystal #hydrogen bonding #sulfamethazine
Tipo

Journal Article