2-(5,6-Dihydrobenzimidazo[1,2-c]quinazolin-6-yl)-5-methylphenol

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...

Full description

Bibliographic Details
Main Authors: Naser Eltaher Eltayeb, Siang Guan Teoh, Madhukar Hemamalini, Hoong-Kun Fun
Format: Article
Language:English
Published: International Union of Crystallography 2011-09-01
Series:Acta Crystallographica Section E
Online Access:http://scripts.iucr.org/cgi-bin/paper?S1600536811032673
id doaj-3da61f7032e6472faa17d638ff1de1f1
record_format Article
spelling 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
_version_ 1725173418053074944

Similar Items