4-Amino-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide–2-nitrobenzoic acid (1/1)

4-Amino-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide–2-nitrobenzoic acid (1/1)

In the asymmetric unit of the title co-crystal, C12H14N4O2S·C7H5NO4, the sulfamethazine and 2-nitrobenzoic acid molecules form a heterodimer through intermolecular amide–carboxylic acid N—H...O and carboxylic acid–pyrimidine O—H...N hydrogen-bond pair...

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Main Authors: Graham Smith, Urs D. Wermuth
Format: Article
Language:English
Published: International Union of Crystallography 2013-02-01
Series:Acta Crystallographica Section E
Online Access:http://scripts.iucr.org/cgi-bin/paper?S1600536813000779
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spelling doaj-bc799714c21e4eada2a06c719014b6632020-11-25T00:59:32ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682013-02-01692o234o23410.1107/S16005368130007794-Amino-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide–2-nitrobenzoic acid (1/1)Graham SmithUrs D. WermuthIn the asymmetric unit of the title co-crystal, C12H14N4O2S·C7H5NO4, the sulfamethazine and 2-nitrobenzoic acid molecules form a heterodimer through intermolecular amide–carboxylic acid N—H...O and carboxylic acid–pyrimidine O—H...N hydrogen-bond pairs, giving a cyclic motif [graph set R22(8)]. The dihedral angle between the two aromatic ring systems in the sulfamethazine molecule is 88.96 (18)° and the nitro group of the acid is 50% rotationally disordered. Secondary aniline N—H...Osulfone hydrogen-bonding associations give a two-dimensional structure lying parallel to the ab plane.http://scripts.iucr.org/cgi-bin/paper?S1600536813000779
collection DOAJ
language English
format Article
sources DOAJ
author Graham Smith
Urs D. Wermuth
spellingShingle Graham Smith
Urs D. Wermuth
4-Amino-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide–2-nitrobenzoic acid (1/1)
Acta Crystallographica Section E
author_facet Graham Smith
Urs D. Wermuth
author_sort Graham Smith
title 4-Amino-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide–2-nitrobenzoic acid (1/1)
title_short 4-Amino-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide–2-nitrobenzoic acid (1/1)
title_full 4-Amino-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide–2-nitrobenzoic acid (1/1)
title_fullStr 4-Amino-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide–2-nitrobenzoic acid (1/1)
title_full_unstemmed 4-Amino-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide–2-nitrobenzoic acid (1/1)
title_sort 4-amino-n-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide–2-nitrobenzoic acid (1/1)
publisher International Union of Crystallography
series Acta Crystallographica Section E
issn 1600-5368
publishDate 2013-02-01
description In the asymmetric unit of the title co-crystal, C12H14N4O2S·C7H5NO4, the sulfamethazine and 2-nitrobenzoic acid molecules form a heterodimer through intermolecular amide–carboxylic acid N—H...O and carboxylic acid–pyrimidine O—H...N hydrogen-bond pairs, giving a cyclic motif [graph set R22(8)]. The dihedral angle between the two aromatic ring systems in the sulfamethazine molecule is 88.96 (18)° and the nitro group of the acid is 50% rotationally disordered. Secondary aniline N—H...Osulfone hydrogen-bonding associations give a two-dimensional structure lying parallel to the ab plane.
url http://scripts.iucr.org/cgi-bin/paper?S1600536813000779
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AT ursdwermuth 4aminon46dimethylpyrimidin2ylbenzenesulfonamide82112nitrobenzoicacid11
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