3-(2-Aminoethyl)-2-[4-(trifluoromethoxy)anilino]quinazolin-4(3H)-one
In the title compound, C17H15F3N4O2, the dihedral angle between the trifluoromethoxy-substituted benzene ring and the pyrimidinone ring is 45.1 (5)°, while that between the fused benzene ring and the pyrimidinone ring is 0.67 (1)°. Part of one of...
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International Union of Crystallography
2010-07-01
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Series: | Acta Crystallographica Section E |
Online Access: | http://scripts.iucr.org/cgi-bin/paper?S1600536810024645 |
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doaj-3026080625e14abea69ec6126c85e3b62020-11-25T01:35:42ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682010-07-01667o1854o185510.1107/S16005368100246453-(2-Aminoethyl)-2-[4-(trifluoromethoxy)anilino]quinazolin-4(3H)-oneZhao-Hui CaiXiao-Bao ChenXu-Hong YangXiang WangIn the title compound, C17H15F3N4O2, the dihedral angle between the trifluoromethoxy-substituted benzene ring and the pyrimidinone ring is 45.1 (5)°, while that between the fused benzene ring and the pyrimidinone ring is 0.67 (1)°. Part of one of the benzene rings and its trifluoromethoxy substituent are disordered over two positions of approximately equal occupancy (0.51:0.49). Intermolecular N—H...O and N—H...N hydrogen bonds contribute to the stability of the crystal structure. A weak intramolecular C—H...F contact is also found. In addition, π–π stacking interactions, with centroid–centroid distances in the range 3.673 (6)–3.780 (8) Å, and weak C—H...π interactions are also observed. http://scripts.iucr.org/cgi-bin/paper?S1600536810024645 |
collection |
DOAJ |
language |
English |
format |
Article |
sources |
DOAJ |
author |
Zhao-Hui Cai Xiao-Bao Chen Xu-Hong Yang Xiang Wang |
spellingShingle |
Zhao-Hui Cai Xiao-Bao Chen Xu-Hong Yang Xiang Wang 3-(2-Aminoethyl)-2-[4-(trifluoromethoxy)anilino]quinazolin-4(3H)-one Acta Crystallographica Section E |
author_facet |
Zhao-Hui Cai Xiao-Bao Chen Xu-Hong Yang Xiang Wang |
author_sort |
Zhao-Hui Cai |
title |
3-(2-Aminoethyl)-2-[4-(trifluoromethoxy)anilino]quinazolin-4(3H)-one |
title_short |
3-(2-Aminoethyl)-2-[4-(trifluoromethoxy)anilino]quinazolin-4(3H)-one |
title_full |
3-(2-Aminoethyl)-2-[4-(trifluoromethoxy)anilino]quinazolin-4(3H)-one |
title_fullStr |
3-(2-Aminoethyl)-2-[4-(trifluoromethoxy)anilino]quinazolin-4(3H)-one |
title_full_unstemmed |
3-(2-Aminoethyl)-2-[4-(trifluoromethoxy)anilino]quinazolin-4(3H)-one |
title_sort |
3-(2-aminoethyl)-2-[4-(trifluoromethoxy)anilino]quinazolin-4(3h)-one |
publisher |
International Union of Crystallography |
series |
Acta Crystallographica Section E |
issn |
1600-5368 |
publishDate |
2010-07-01 |
description |
In the title compound, C17H15F3N4O2, the dihedral angle between the trifluoromethoxy-substituted benzene ring and the pyrimidinone ring is 45.1 (5)°, while that between the fused benzene ring and the pyrimidinone ring is 0.67 (1)°. Part of one of the benzene rings and its trifluoromethoxy substituent are disordered over two positions of approximately equal occupancy (0.51:0.49). Intermolecular N—H...O and N—H...N hydrogen bonds contribute to the stability of the crystal structure. A weak intramolecular C—H...F contact is also found. In addition, π–π stacking interactions, with centroid–centroid distances in the range 3.673 (6)–3.780 (8) Å, and weak C—H...π interactions are also observed. |
url |
http://scripts.iucr.org/cgi-bin/paper?S1600536810024645 |
work_keys_str_mv |
AT zhaohuicai 32aminoethyl24trifluoromethoxyanilinoquinazolin43hone AT xiaobaochen 32aminoethyl24trifluoromethoxyanilinoquinazolin43hone AT xuhongyang 32aminoethyl24trifluoromethoxyanilinoquinazolin43hone AT xiangwang 32aminoethyl24trifluoromethoxyanilinoquinazolin43hone |
_version_ |
1725066933831729152 |