Cargando…

Crystal structure of pencycuron

In the title compound [systematic name: 1-(4-chloro­benz­yl)-1-cyclo­pentyl-3-phenyl­urea], C(19)H(21)ClN(2)O, which is a urea fungicide, the cyclo­pentyl ring adopts an envelope conformation, with one of the methyl­ene C atoms adjacent to the C atom bonding to the N atom as the flap. The dihedral a...

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:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4571381/
https://www.ncbi.nlm.nih.gov/pubmed/26396781
http://dx.doi.org/10.1107/S2056989015012414
_version_ 1782390329205325824
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 [systematic name: 1-(4-chloro­benz­yl)-1-cyclo­pentyl-3-phenyl­urea], C(19)H(21)ClN(2)O, which is a urea fungicide, the cyclo­pentyl ring adopts an envelope conformation, with one of the methyl­ene C atoms adjacent to the C atom bonding to the N atom as the flap. The dihedral angles between the mean planes of the central cyclo­pentyl ring (all atoms) and the chloro­benzyl and phenyl rings are 77.96 (6) and 57.77 (7)°, respectively. In the crystal, N—H⋯O hydrogen bonds link adjacent mol­ecules, forming C(4) chains propagating along the b-axis direction. The chains are linked by weak π–π inter­actions between the chloro­benzene rings [centroid–centroid separation = 3.9942 (9) Å], resulting in two-dimensional networks extending parellel to the (110) plane.
format Online
Article
Text
id pubmed-4571381
institution National Center for Biotechnology Information
language English
publishDate 2015
publisher International Union of Crystallography
record_format MEDLINE/PubMed
spelling pubmed-45713812015-09-22 Crystal structure of pencycuron Kang, Gihaeng Kim, Jineun Kwon, Eunjin Kim, Tae Ho Acta Crystallogr E Crystallogr Commun Data Reports In the title compound [systematic name: 1-(4-chloro­benz­yl)-1-cyclo­pentyl-3-phenyl­urea], C(19)H(21)ClN(2)O, which is a urea fungicide, the cyclo­pentyl ring adopts an envelope conformation, with one of the methyl­ene C atoms adjacent to the C atom bonding to the N atom as the flap. The dihedral angles between the mean planes of the central cyclo­pentyl ring (all atoms) and the chloro­benzyl and phenyl rings are 77.96 (6) and 57.77 (7)°, respectively. In the crystal, N—H⋯O hydrogen bonds link adjacent mol­ecules, forming C(4) chains propagating along the b-axis direction. The chains are linked by weak π–π inter­actions between the chloro­benzene rings [centroid–centroid separation = 3.9942 (9) Å], resulting in two-dimensional networks extending parellel to the (110) plane. International Union of Crystallography 2015-07-04 /pmc/articles/PMC4571381/ /pubmed/26396781 http://dx.doi.org/10.1107/S2056989015012414 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 pencycuron
title Crystal structure of pencycuron
title_full Crystal structure of pencycuron
title_fullStr Crystal structure of pencycuron
title_full_unstemmed Crystal structure of pencycuron
title_short Crystal structure of pencycuron
title_sort crystal structure of pencycuron
topic Data Reports
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4571381/
https://www.ncbi.nlm.nih.gov/pubmed/26396781
http://dx.doi.org/10.1107/S2056989015012414
work_keys_str_mv AT kanggihaeng crystalstructureofpencycuron
AT kimjineun crystalstructureofpencycuron
AT kwoneunjin crystalstructureofpencycuron
AT kimtaeho crystalstructureofpencycuron