2-(4-Bromoanilino)-6-(4-chlorophenyl)-5-methoxycarbonyl-4-methyl-3,6-dihydropyrimidin-1-ium chloride

2-(4-Bromoanilino)-6-(4-chlorophenyl)-5-methoxycarbonyl-4-methyl-3,6-dihydropyrimidin-1-ium chloride

In the title molecular salt, C19H18BrClN3O2+·Cl−, the dihedral angles between the pyrimidine ring and the chlorobenzene and bromobenzene rings are 72.4 (2) and 45.5 (2)°, respectively. The dihedral angle between the chlorobenzene and bromobenzene rings...

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Main Authors: K. N. Venugopala, Susanta K. Nayak, Bharti Odhav
Format: Article
Language:English
Published: International Union of Crystallography 2013-04-01
Series:Acta Crystallographica Section E
Online Access:http://scripts.iucr.org/cgi-bin/paper?S1600536813006296
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spelling doaj-7a1b9ea3ac2947e78b198d317db0898a2020-11-24T21:05:17ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682013-04-01694o518o51910.1107/S16005368130062962-(4-Bromoanilino)-6-(4-chlorophenyl)-5-methoxycarbonyl-4-methyl-3,6-dihydropyrimidin-1-ium chlorideK. N. VenugopalaSusanta K. NayakBharti OdhavIn the title molecular salt, C19H18BrClN3O2+·Cl−, the dihedral angles between the pyrimidine ring and the chlorobenzene and bromobenzene rings are 72.4 (2) and 45.5 (2)°, respectively. The dihedral angle between the chlorobenzene and bromobenzene rings is 27.5 (2)°. The conformation of the molecule is stabilized by an intramolecular C—H...O interaction. In the crystal, the anion and cation are linked by an N—H...Cl hydrogen bond. Pairs of weak C—H...O and C—H...Cl hydrogen bonds form inversion dimers. Further N—H...Cl hydrogen bonds form R21(6) motifs and link the dimers into chains along [101]. Br...Cl short contacts [3.482 (2) Å] interlink the hydrogen-bonded chains along the b-axis direction.http://scripts.iucr.org/cgi-bin/paper?S1600536813006296
collection DOAJ
language English
format Article
sources DOAJ
author K. N. Venugopala
Susanta K. Nayak
Bharti Odhav
spellingShingle K. N. Venugopala
Susanta K. Nayak
Bharti Odhav
2-(4-Bromoanilino)-6-(4-chlorophenyl)-5-methoxycarbonyl-4-methyl-3,6-dihydropyrimidin-1-ium chloride
Acta Crystallographica Section E
author_facet K. N. Venugopala
Susanta K. Nayak
Bharti Odhav
author_sort K. N. Venugopala
title 2-(4-Bromoanilino)-6-(4-chlorophenyl)-5-methoxycarbonyl-4-methyl-3,6-dihydropyrimidin-1-ium chloride
title_short 2-(4-Bromoanilino)-6-(4-chlorophenyl)-5-methoxycarbonyl-4-methyl-3,6-dihydropyrimidin-1-ium chloride
title_full 2-(4-Bromoanilino)-6-(4-chlorophenyl)-5-methoxycarbonyl-4-methyl-3,6-dihydropyrimidin-1-ium chloride
title_fullStr 2-(4-Bromoanilino)-6-(4-chlorophenyl)-5-methoxycarbonyl-4-methyl-3,6-dihydropyrimidin-1-ium chloride
title_full_unstemmed 2-(4-Bromoanilino)-6-(4-chlorophenyl)-5-methoxycarbonyl-4-methyl-3,6-dihydropyrimidin-1-ium chloride
title_sort 2-(4-bromoanilino)-6-(4-chlorophenyl)-5-methoxycarbonyl-4-methyl-3,6-dihydropyrimidin-1-ium chloride
publisher International Union of Crystallography
series Acta Crystallographica Section E
issn 1600-5368
publishDate 2013-04-01
description In the title molecular salt, C19H18BrClN3O2+·Cl−, the dihedral angles between the pyrimidine ring and the chlorobenzene and bromobenzene rings are 72.4 (2) and 45.5 (2)°, respectively. The dihedral angle between the chlorobenzene and bromobenzene rings is 27.5 (2)°. The conformation of the molecule is stabilized by an intramolecular C—H...O interaction. In the crystal, the anion and cation are linked by an N—H...Cl hydrogen bond. Pairs of weak C—H...O and C—H...Cl hydrogen bonds form inversion dimers. Further N—H...Cl hydrogen bonds form R21(6) motifs and link the dimers into chains along [101]. Br...Cl short contacts [3.482 (2) Å] interlink the hydrogen-bonded chains along the b-axis direction.
url http://scripts.iucr.org/cgi-bin/paper?S1600536813006296
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AT susantaknayak 24bromoanilino64chlorophenyl5methoxycarbonyl4methyl36dihydropyrimidin1iumchloride
AT bhartiodhav 24bromoanilino64chlorophenyl5methoxycarbonyl4methyl36dihydropyrimidin1iumchloride
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