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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...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
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International Union of Crystallography
2015
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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 |
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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 |