6-Hydroxy-4-(pyridin-3-yl)-5-(2-thienylcarbonyl)-6-trifluoromethyl-3,4,5,6-tetrahydropyrimidin-2(1H)-one

6-Hydroxy-4-(pyridin-3-yl)-5-(2-thienylcarbonyl)-6-trifluoromethyl-3,4,5,6-tetrahydropyrimidin-2(1H)-one

In the title compound, C15H12F3N3O3S, the pyrimidine ring adopts a half-chair conformation with the mean plane formed by the ring atoms excluding the C atom bonded to thiophene-2-carbonyl group lying nearly perpendicular to the pyridine and thiophene rings, making dihedral angles of 84.91&#8...

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Main Authors: Gong-Chun Li, Zhi-Yu Ju, Hong-Sheng Wang, Yu-Jiao Niu, Feng-Ling Yang
Format: Article
Language:English
Published: International Union of Crystallography 2010-11-01
Series:Acta Crystallographica Section E
Online Access:http://scripts.iucr.org/cgi-bin/paper?S1600536810041085
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spelling doaj-93c66d6a926d44d48f6e4cf475c9fef52020-11-25T01:13:22ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682010-11-016611o2852o285210.1107/S16005368100410856-Hydroxy-4-(pyridin-3-yl)-5-(2-thienylcarbonyl)-6-trifluoromethyl-3,4,5,6-tetrahydropyrimidin-2(1H)-oneGong-Chun LiZhi-Yu JuHong-Sheng WangYu-Jiao NiuFeng-Ling YangIn the title compound, C15H12F3N3O3S, the pyrimidine ring adopts a half-chair conformation with the mean plane formed by the ring atoms excluding the C atom bonded to thiophene-2-carbonyl group lying nearly perpendicular to the pyridine and thiophene rings, making dihedral angles of 84.91 (4) and 87.40 (5)°, respectively. The dihedral angle between the pyridine and thiophene rings is 54.44 (5)°. The crystal structure is stabilized by intermolecular O—H...O and N—H...N hydrogen bonds and weak C—H...O interactions further consolidate the structure. http://scripts.iucr.org/cgi-bin/paper?S1600536810041085
collection DOAJ
language English
format Article
sources DOAJ
author Gong-Chun Li
Zhi-Yu Ju
Hong-Sheng Wang
Yu-Jiao Niu
Feng-Ling Yang
spellingShingle Gong-Chun Li
Zhi-Yu Ju
Hong-Sheng Wang
Yu-Jiao Niu
Feng-Ling Yang
6-Hydroxy-4-(pyridin-3-yl)-5-(2-thienylcarbonyl)-6-trifluoromethyl-3,4,5,6-tetrahydropyrimidin-2(1H)-one
Acta Crystallographica Section E
author_facet Gong-Chun Li
Zhi-Yu Ju
Hong-Sheng Wang
Yu-Jiao Niu
Feng-Ling Yang
author_sort Gong-Chun Li
title 6-Hydroxy-4-(pyridin-3-yl)-5-(2-thienylcarbonyl)-6-trifluoromethyl-3,4,5,6-tetrahydropyrimidin-2(1H)-one
title_short 6-Hydroxy-4-(pyridin-3-yl)-5-(2-thienylcarbonyl)-6-trifluoromethyl-3,4,5,6-tetrahydropyrimidin-2(1H)-one
title_full 6-Hydroxy-4-(pyridin-3-yl)-5-(2-thienylcarbonyl)-6-trifluoromethyl-3,4,5,6-tetrahydropyrimidin-2(1H)-one
title_fullStr 6-Hydroxy-4-(pyridin-3-yl)-5-(2-thienylcarbonyl)-6-trifluoromethyl-3,4,5,6-tetrahydropyrimidin-2(1H)-one
title_full_unstemmed 6-Hydroxy-4-(pyridin-3-yl)-5-(2-thienylcarbonyl)-6-trifluoromethyl-3,4,5,6-tetrahydropyrimidin-2(1H)-one
title_sort 6-hydroxy-4-(pyridin-3-yl)-5-(2-thienylcarbonyl)-6-trifluoromethyl-3,4,5,6-tetrahydropyrimidin-2(1h)-one
publisher International Union of Crystallography
series Acta Crystallographica Section E
issn 1600-5368
publishDate 2010-11-01
description In the title compound, C15H12F3N3O3S, the pyrimidine ring adopts a half-chair conformation with the mean plane formed by the ring atoms excluding the C atom bonded to thiophene-2-carbonyl group lying nearly perpendicular to the pyridine and thiophene rings, making dihedral angles of 84.91 (4) and 87.40 (5)°, respectively. The dihedral angle between the pyridine and thiophene rings is 54.44 (5)°. The crystal structure is stabilized by intermolecular O—H...O and N—H...N hydrogen bonds and weak C—H...O interactions further consolidate the structure.
url http://scripts.iucr.org/cgi-bin/paper?S1600536810041085
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AT zhiyuju 6hydroxy4pyridin3yl52thienylcarbonyl6trifluoromethyl3456tetrahydropyrimidin21hone
AT hongshengwang 6hydroxy4pyridin3yl52thienylcarbonyl6trifluoromethyl3456tetrahydropyrimidin21hone
AT yujiaoniu 6hydroxy4pyridin3yl52thienylcarbonyl6trifluoromethyl3456tetrahydropyrimidin21hone
AT fenglingyang 6hydroxy4pyridin3yl52thienylcarbonyl6trifluoromethyl3456tetrahydropyrimidin21hone
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