Crystal structure of dimethomorph

In the title compound, C(21)H(22)ClNO(4) [systematic name: (E)-3-(4-chloro­phen­yl)-3-(3,4-di­meth­oxy­phen­yl)-1-(morpholin-4-yl)prop-2-en-1-one], which is the morpholine fungicide dimethomorph, the dihedral angles between the mean planes of the central chloro­phenyl and the terminal benzene and mo...

Descripción completa

Detalles Bibliográficos
Autores principales: Kang, Gihaeng, Kim, Jineun, Kwon, Eunjin, Kim, Tae Ho
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/PMC4555370/
https://www.ncbi.nlm.nih.gov/pubmed/26396887
http://dx.doi.org/10.1107/S2056989015014735
_version_ 1782388188839411712
author Kang, Gihaeng
Kim, Jineun
Kwon, Eunjin
Kim, Tae Ho
author_facet Kang, Gihaeng
Kim, Jineun
Kwon, Eunjin
Kim, Tae Ho
author_sort Kang, Gihaeng
collection PubMed
description In the title compound, C(21)H(22)ClNO(4) [systematic name: (E)-3-(4-chloro­phen­yl)-3-(3,4-di­meth­oxy­phen­yl)-1-(morpholin-4-yl)prop-2-en-1-one], which is the morpholine fungicide dimethomorph, the dihedral angles between the mean planes of the central chloro­phenyl and the terminal benzene and morpholine (r.m.s. deviation = 0.2233 Å) rings are 71.74 (6) and 63.65 (7)°, respectively. In the crystal, molecules are linked via C—H⋯O hydrogen bonds and weak Cl⋯π interactions [3.8539 (11) Å], forming a three-dimensional structure.
format Online
Article
Text
id pubmed-4555370
institution National Center for Biotechnology Information
language English
publishDate 2015
publisher International Union of Crystallography
record_format MEDLINE/PubMed
spelling pubmed-45553702015-09-22 Crystal structure of dimethomorph Kang, Gihaeng Kim, Jineun Kwon, Eunjin Kim, Tae Ho Acta Crystallogr E Crystallogr Commun Data Reports In the title compound, C(21)H(22)ClNO(4) [systematic name: (E)-3-(4-chloro­phen­yl)-3-(3,4-di­meth­oxy­phen­yl)-1-(morpholin-4-yl)prop-2-en-1-one], which is the morpholine fungicide dimethomorph, the dihedral angles between the mean planes of the central chloro­phenyl and the terminal benzene and morpholine (r.m.s. deviation = 0.2233 Å) rings are 71.74 (6) and 63.65 (7)°, respectively. In the crystal, molecules are linked via C—H⋯O hydrogen bonds and weak Cl⋯π interactions [3.8539 (11) Å], forming a three-dimensional structure. International Union of Crystallography 2015-08-12 /pmc/articles/PMC4555370/ /pubmed/26396887 http://dx.doi.org/10.1107/S2056989015014735 Text en © Kang 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
Kang, Gihaeng
Kim, Jineun
Kwon, Eunjin
Kim, Tae Ho
Crystal structure of dimethomorph
title Crystal structure of dimethomorph
title_full Crystal structure of dimethomorph
title_fullStr Crystal structure of dimethomorph
title_full_unstemmed Crystal structure of dimethomorph
title_short Crystal structure of dimethomorph
title_sort crystal structure of dimethomorph
topic Data Reports
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4555370/
https://www.ncbi.nlm.nih.gov/pubmed/26396887
http://dx.doi.org/10.1107/S2056989015014735
work_keys_str_mv AT kanggihaeng crystalstructureofdimethomorph
AT kimjineun crystalstructureofdimethomorph
AT kwoneunjin crystalstructureofdimethomorph
AT kimtaeho crystalstructureofdimethomorph

Ejemplares similares