N-[3-Chloro-4-(3-fluoro­benz­yloxy)phen­yl]-6-iodo­quinazolin-4-amine

In the title mol­ecule, C(21)H(14)ClFIN(3)O, the bicyclic ring system has a twisted conformation; the two fused rings form a dihedral angle of 4.5 (1)°. The dihedral angles between the fused ring system and the benzene rings are 27.3 (6) and 5.3 (5)° while the dihedral angle between the benzene ring...

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Detalles Bibliográficos
Autores principales: Cai, Zhi-Qiang, Liu, Jing-Guo, Zhou, Wei-Wei, Li, Yi-Liang
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3006786/
https://www.ncbi.nlm.nih.gov/pubmed/21588019
http://dx.doi.org/10.1107/S1600536810021847
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author Cai, Zhi-Qiang
Liu, Jing-Guo
Zhou, Wei-Wei
Li, Yi-Liang
author_facet Cai, Zhi-Qiang
Liu, Jing-Guo
Zhou, Wei-Wei
Li, Yi-Liang
author_sort Cai, Zhi-Qiang
collection PubMed
description In the title mol­ecule, C(21)H(14)ClFIN(3)O, the bicyclic ring system has a twisted conformation; the two fused rings form a dihedral angle of 4.5 (1)°. The dihedral angles between the fused ring system and the benzene rings are 27.3 (6) and 5.3 (5)° while the dihedral angle between the benzene rings is 22.0 (5)°. In the crystal structure, weak inter­molecular N—H⋯N hydrogen bonds link the mol­ecules into chains propagating in [100]. A short inter­molecular distance of 3.806 (3) Å between the centroids of the fluorobenzene and iodobenzene rings suggests the existence of π–π stacking inter­actions.
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spelling pubmed-30067862010-12-30 N-[3-Chloro-4-(3-fluoro­benz­yloxy)phen­yl]-6-iodo­quinazolin-4-amine Cai, Zhi-Qiang Liu, Jing-Guo Zhou, Wei-Wei Li, Yi-Liang Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title mol­ecule, C(21)H(14)ClFIN(3)O, the bicyclic ring system has a twisted conformation; the two fused rings form a dihedral angle of 4.5 (1)°. The dihedral angles between the fused ring system and the benzene rings are 27.3 (6) and 5.3 (5)° while the dihedral angle between the benzene rings is 22.0 (5)°. In the crystal structure, weak inter­molecular N—H⋯N hydrogen bonds link the mol­ecules into chains propagating in [100]. A short inter­molecular distance of 3.806 (3) Å between the centroids of the fluorobenzene and iodobenzene rings suggests the existence of π–π stacking inter­actions. International Union of Crystallography 2010-06-26 /pmc/articles/PMC3006786/ /pubmed/21588019 http://dx.doi.org/10.1107/S1600536810021847 Text en © Cai et al. 2010 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
Cai, Zhi-Qiang
Liu, Jing-Guo
Zhou, Wei-Wei
Li, Yi-Liang
N-[3-Chloro-4-(3-fluoro­benz­yloxy)phen­yl]-6-iodo­quinazolin-4-amine
title N-[3-Chloro-4-(3-fluoro­benz­yloxy)phen­yl]-6-iodo­quinazolin-4-amine
title_full N-[3-Chloro-4-(3-fluoro­benz­yloxy)phen­yl]-6-iodo­quinazolin-4-amine
title_fullStr N-[3-Chloro-4-(3-fluoro­benz­yloxy)phen­yl]-6-iodo­quinazolin-4-amine
title_full_unstemmed N-[3-Chloro-4-(3-fluoro­benz­yloxy)phen­yl]-6-iodo­quinazolin-4-amine
title_short N-[3-Chloro-4-(3-fluoro­benz­yloxy)phen­yl]-6-iodo­quinazolin-4-amine
title_sort n-[3-chloro-4-(3-fluoro­benz­yloxy)phen­yl]-6-iodo­quinazolin-4-amine
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3006786/
https://www.ncbi.nlm.nih.gov/pubmed/21588019
http://dx.doi.org/10.1107/S1600536810021847
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AT zhouweiwei n3chloro43fluorobenzyloxyphenyl6iodoquinazolin4amine
AT liyiliang n3chloro43fluorobenzyloxyphenyl6iodoquinazolin4amine

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