3-(2-Amino­ethyl)-2-(4-chloro­anilino)­quinazolin-4(3H)-one methanol 0.75-solvate

In the asymmetric unit of the title compound, C(16)H(15)ClN(4)O·0.75CH(3)OH, there are two independent quinazolin-4(3H)-one mol­ecules and one and a half methanol mol­ecules. One of the methanol mol­ecules is disordered over two positions with equal occupancies. The dihedral angles between the quina...

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Detalles Bibliográficos
Autores principales: Yang, Xu-Hong, Chen, Xiao-Bao, Zhou, Si-Xuan
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2008
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2968094/
https://www.ncbi.nlm.nih.gov/pubmed/21581640
http://dx.doi.org/10.1107/S160053680804049X
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author Yang, Xu-Hong
Chen, Xiao-Bao
Zhou, Si-Xuan
author_facet Yang, Xu-Hong
Chen, Xiao-Bao
Zhou, Si-Xuan
author_sort Yang, Xu-Hong
collection PubMed
description In the asymmetric unit of the title compound, C(16)H(15)ClN(4)O·0.75CH(3)OH, there are two independent quinazolin-4(3H)-one mol­ecules and one and a half methanol mol­ecules. One of the methanol mol­ecules is disordered over two positions with equal occupancies. The dihedral angles between the quinazoline ring system and the chloro­benzene ring in the two quinazolin-4(3H)-one mol­ecules are essentially the same, at 39.83 (1) and 39.84 (1)°. Intra­molecular N—H⋯N and O—H⋯O, and inter­molecular N—H⋯O and N—H⋯N hydrogen bonds are observed. In addition, π–π stacking inter­actions, with centroid-to-centroid distances of 3.654 (1), 3.766 (1) and 3.767 (1) Å, and weak C—H⋯π inter­actions, are observed.
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spelling pubmed-29680942010-12-30 3-(2-Amino­ethyl)-2-(4-chloro­anilino)­quinazolin-4(3H)-one methanol 0.75-solvate Yang, Xu-Hong Chen, Xiao-Bao Zhou, Si-Xuan Acta Crystallogr Sect E Struct Rep Online Organic Papers In the asymmetric unit of the title compound, C(16)H(15)ClN(4)O·0.75CH(3)OH, there are two independent quinazolin-4(3H)-one mol­ecules and one and a half methanol mol­ecules. One of the methanol mol­ecules is disordered over two positions with equal occupancies. The dihedral angles between the quinazoline ring system and the chloro­benzene ring in the two quinazolin-4(3H)-one mol­ecules are essentially the same, at 39.83 (1) and 39.84 (1)°. Intra­molecular N—H⋯N and O—H⋯O, and inter­molecular N—H⋯O and N—H⋯N hydrogen bonds are observed. In addition, π–π stacking inter­actions, with centroid-to-centroid distances of 3.654 (1), 3.766 (1) and 3.767 (1) Å, and weak C—H⋯π inter­actions, are observed. International Union of Crystallography 2008-12-07 /pmc/articles/PMC2968094/ /pubmed/21581640 http://dx.doi.org/10.1107/S160053680804049X Text en © Yang et al. 2009 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Organic Papers
Yang, Xu-Hong
Chen, Xiao-Bao
Zhou, Si-Xuan
3-(2-Amino­ethyl)-2-(4-chloro­anilino)­quinazolin-4(3H)-one methanol 0.75-solvate
title 3-(2-Amino­ethyl)-2-(4-chloro­anilino)­quinazolin-4(3H)-one methanol 0.75-solvate
title_full 3-(2-Amino­ethyl)-2-(4-chloro­anilino)­quinazolin-4(3H)-one methanol 0.75-solvate
title_fullStr 3-(2-Amino­ethyl)-2-(4-chloro­anilino)­quinazolin-4(3H)-one methanol 0.75-solvate
title_full_unstemmed 3-(2-Amino­ethyl)-2-(4-chloro­anilino)­quinazolin-4(3H)-one methanol 0.75-solvate
title_short 3-(2-Amino­ethyl)-2-(4-chloro­anilino)­quinazolin-4(3H)-one methanol 0.75-solvate
title_sort 3-(2-amino­ethyl)-2-(4-chloro­anilino)­quinazolin-4(3h)-one methanol 0.75-solvate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2968094/
https://www.ncbi.nlm.nih.gov/pubmed/21581640
http://dx.doi.org/10.1107/S160053680804049X
work_keys_str_mv AT yangxuhong 32aminoethyl24chloroanilinoquinazolin43honemethanol075solvate
AT chenxiaobao 32aminoethyl24chloroanilinoquinazolin43honemethanol075solvate
AT zhousixuan 32aminoethyl24chloroanilinoquinazolin43honemethanol075solvate

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