2-(5,6-Dihydrobenzimidazo[1,2-c]quinazolin-6-yl)-5-methylphenol
In the title compound, C21H17N3O, the imidazole ring is essentially planar, with a maximum deviation of 0.009 (1) Å. The molecule is disordered over two sites corresponding to a rotation of approximately 180° with a refined occupancy ratio of 0.9...
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International Union of Crystallography
2011-09-01
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Series: | Acta Crystallographica Section E |
Online Access: | http://scripts.iucr.org/cgi-bin/paper?S1600536811032673 |
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doaj-3da61f7032e6472faa17d638ff1de1f12020-11-25T01:10:55ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682011-09-01679o2373o237410.1107/S16005368110326732-(5,6-Dihydrobenzimidazo[1,2-c]quinazolin-6-yl)-5-methylphenolNaser Eltaher EltayebSiang Guan TeohMadhukar HemamaliniHoong-Kun FunIn the title compound, C21H17N3O, the imidazole ring is essentially planar, with a maximum deviation of 0.009 (1) Å. The molecule is disordered over two sites corresponding to a rotation of approximately 180° with a refined occupancy ratio of 0.9180 (14):0.0820 (14). The central pyrimidine ring makes dihedral angles of 5.02 (5), 3.97 (5) and 6.28 (5)°, respectively, with the planes of the imidazole and the terminal phenyl rings for the major component; the values for the minor component are 5.8 (7), 5.0 (6) and 8.5 (6)°, respectively. Part of the observed planarity is accounted for in terms of an intramolecular N—H...O hydrogen bond. In the crystal, molecules of the major component are connected by O—H...N hydrogen bonds, forming supramolecular chains along the c axis.http://scripts.iucr.org/cgi-bin/paper?S1600536811032673 |
collection |
DOAJ |
language |
English |
format |
Article |
sources |
DOAJ |
author |
Naser Eltaher Eltayeb Siang Guan Teoh Madhukar Hemamalini Hoong-Kun Fun |
spellingShingle |
Naser Eltaher Eltayeb Siang Guan Teoh Madhukar Hemamalini Hoong-Kun Fun 2-(5,6-Dihydrobenzimidazo[1,2-c]quinazolin-6-yl)-5-methylphenol Acta Crystallographica Section E |
author_facet |
Naser Eltaher Eltayeb Siang Guan Teoh Madhukar Hemamalini Hoong-Kun Fun |
author_sort |
Naser Eltaher Eltayeb |
title |
2-(5,6-Dihydrobenzimidazo[1,2-c]quinazolin-6-yl)-5-methylphenol |
title_short |
2-(5,6-Dihydrobenzimidazo[1,2-c]quinazolin-6-yl)-5-methylphenol |
title_full |
2-(5,6-Dihydrobenzimidazo[1,2-c]quinazolin-6-yl)-5-methylphenol |
title_fullStr |
2-(5,6-Dihydrobenzimidazo[1,2-c]quinazolin-6-yl)-5-methylphenol |
title_full_unstemmed |
2-(5,6-Dihydrobenzimidazo[1,2-c]quinazolin-6-yl)-5-methylphenol |
title_sort |
2-(5,6-dihydrobenzimidazo[1,2-c]quinazolin-6-yl)-5-methylphenol |
publisher |
International Union of Crystallography |
series |
Acta Crystallographica Section E |
issn |
1600-5368 |
publishDate |
2011-09-01 |
description |
In the title compound, C21H17N3O, the imidazole ring is essentially planar, with a maximum deviation of 0.009 (1) Å. The molecule is disordered over two sites corresponding to a rotation of approximately 180° with a refined occupancy ratio of 0.9180 (14):0.0820 (14). The central pyrimidine ring makes dihedral angles of 5.02 (5), 3.97 (5) and 6.28 (5)°, respectively, with the planes of the imidazole and the terminal phenyl rings for the major component; the values for the minor component are 5.8 (7), 5.0 (6) and 8.5 (6)°, respectively. Part of the observed planarity is accounted for in terms of an intramolecular N—H...O hydrogen bond. In the crystal, molecules of the major component are connected by O—H...N hydrogen bonds, forming supramolecular chains along the c axis. |
url |
http://scripts.iucr.org/cgi-bin/paper?S1600536811032673 |
work_keys_str_mv |
AT nasereltahereltayeb 256dihydrobenzimidazo12cquinazolin6yl5methylphenol AT siangguanteoh 256dihydrobenzimidazo12cquinazolin6yl5methylphenol AT madhukarhemamalini 256dihydrobenzimidazo12cquinazolin6yl5methylphenol AT hoongkunfun 256dihydrobenzimidazo12cquinazolin6yl5methylphenol |
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1725173418053074944 |