Crystal structure of 3-amino-2-propyl­quinazolin-4(3H)-one

In the title mol­ecule, C(11)H(13)N(3)O, the propyl group is almost perpendicular to the quinazolin-4(3H)-one mean plane, making a dihedral angle of 88.98 (9)°. In the crystal, mol­ecules related by an inversion centre are paired via π–π overlap, indicated by the short distances of 3.616 (5) and 3.6...

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Autores principales: El-Hiti, Gamal A., Smith, Keith, Hegazy, Amany S., Alanazi, Saud A., Kariuki, Benson M.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
Materias:
Data Reports
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4571413/
https://www.ncbi.nlm.nih.gov/pubmed/26396813
http://dx.doi.org/10.1107/S2056989015013134
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author El-Hiti, Gamal A.
Smith, Keith
Hegazy, Amany S.
Alanazi, Saud A.
Kariuki, Benson M.
author_facet El-Hiti, Gamal A.
Smith, Keith
Hegazy, Amany S.
Alanazi, Saud A.
Kariuki, Benson M.
author_sort El-Hiti, Gamal A.
collection PubMed
description In the title mol­ecule, C(11)H(13)N(3)O, the propyl group is almost perpendicular to the quinazolin-4(3H)-one mean plane, making a dihedral angle of 88.98 (9)°. In the crystal, mol­ecules related by an inversion centre are paired via π–π overlap, indicated by the short distances of 3.616 (5) and 3.619 (5) Å between the centroids of the aromatic rings of neighbouring mol­ecules. Inter­molecular N—H⋯N and N—H⋯O hydrogen bonds form R (6) (6)(30) rings and C(5) chains, respectively, generating a three-dimensional network. Weak C—H⋯O inter­actions are also observed.
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spelling pubmed-45714132015-09-22 Crystal structure of 3-amino-2-propyl­quinazolin-4(3H)-one El-Hiti, Gamal A. Smith, Keith Hegazy, Amany S. Alanazi, Saud A. Kariuki, Benson M. Acta Crystallogr E Crystallogr Commun Data Reports In the title mol­ecule, C(11)H(13)N(3)O, the propyl group is almost perpendicular to the quinazolin-4(3H)-one mean plane, making a dihedral angle of 88.98 (9)°. In the crystal, mol­ecules related by an inversion centre are paired via π–π overlap, indicated by the short distances of 3.616 (5) and 3.619 (5) Å between the centroids of the aromatic rings of neighbouring mol­ecules. Inter­molecular N—H⋯N and N—H⋯O hydrogen bonds form R (6) (6)(30) rings and C(5) chains, respectively, generating a three-dimensional network. Weak C—H⋯O inter­actions are also observed. International Union of Crystallography 2015-07-22 /pmc/articles/PMC4571413/ /pubmed/26396813 http://dx.doi.org/10.1107/S2056989015013134 Text en © El-Hiti et al. 2015 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 Data Reports
El-Hiti, Gamal A.
Smith, Keith
Hegazy, Amany S.
Alanazi, Saud A.
Kariuki, Benson M.
Crystal structure of 3-amino-2-propyl­quinazolin-4(3H)-one
title Crystal structure of 3-amino-2-propyl­quinazolin-4(3H)-one
title_full Crystal structure of 3-amino-2-propyl­quinazolin-4(3H)-one
title_fullStr Crystal structure of 3-amino-2-propyl­quinazolin-4(3H)-one
title_full_unstemmed Crystal structure of 3-amino-2-propyl­quinazolin-4(3H)-one
title_short Crystal structure of 3-amino-2-propyl­quinazolin-4(3H)-one
title_sort crystal structure of 3-amino-2-propyl­quinazolin-4(3h)-one
topic Data Reports
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4571413/
https://www.ncbi.nlm.nih.gov/pubmed/26396813
http://dx.doi.org/10.1107/S2056989015013134
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