Crystal structure of cyproconazole

The title compound [systematic name: 2-(4-chloro­phen­yl)-3-cyclo­propyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol], C(15)H(18)ClN(3)O, is a conazole fungicide. The asymmetric unit comprises two enanti­omeric pairs (mol­ecules A and B) in which the dihedral angles between the chloro­phenyl and triazole ri...

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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/PMC4719948/
https://www.ncbi.nlm.nih.gov/pubmed/26870467
http://dx.doi.org/10.1107/S2056989015022665
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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 The title compound [systematic name: 2-(4-chloro­phen­yl)-3-cyclo­propyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol], C(15)H(18)ClN(3)O, is a conazole fungicide. The asymmetric unit comprises two enanti­omeric pairs (mol­ecules A and B) in which the dihedral angles between the chloro­phenyl and triazole rings are 46.54 (9) (mol­ecule A) and 67.03 (8)° (mol­ecule B). In the crystal, C—H⋯O, O—H⋯N and C—H⋯Cl hydrogen bonds and weak C—H⋯π inter­actions [3.473 (2) Å] link adjacent mol­ecules, forming columns along the a axis.
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spelling pubmed-47199482016-02-11 Crystal structure of cyproconazole Kang, Gihaeng Kim, Jineun Kwon, Eunjin Kim, Tae Ho Acta Crystallogr E Crystallogr Commun Data Reports The title compound [systematic name: 2-(4-chloro­phen­yl)-3-cyclo­propyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol], C(15)H(18)ClN(3)O, is a conazole fungicide. The asymmetric unit comprises two enanti­omeric pairs (mol­ecules A and B) in which the dihedral angles between the chloro­phenyl and triazole rings are 46.54 (9) (mol­ecule A) and 67.03 (8)° (mol­ecule B). In the crystal, C—H⋯O, O—H⋯N and C—H⋯Cl hydrogen bonds and weak C—H⋯π inter­actions [3.473 (2) Å] link adjacent mol­ecules, forming columns along the a axis. International Union of Crystallography 2015-11-28 /pmc/articles/PMC4719948/ /pubmed/26870467 http://dx.doi.org/10.1107/S2056989015022665 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 cyproconazole
title Crystal structure of cyproconazole
title_full Crystal structure of cyproconazole
title_fullStr Crystal structure of cyproconazole
title_full_unstemmed Crystal structure of cyproconazole
title_short Crystal structure of cyproconazole
title_sort crystal structure of cyproconazole
topic Data Reports
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4719948/
https://www.ncbi.nlm.nih.gov/pubmed/26870467
http://dx.doi.org/10.1107/S2056989015022665
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AT kimjineun crystalstructureofcyproconazole
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