Crystal structure of oxadiarg­yl

In the title compound {systematic name: 5-tert-butyl-3-[2,4-di­chloro-5-(prop-2-yn­yloxy)phen­yl]-1,3,4-oxa­diazol-2(3H)-one}, C(15)H(14)Cl(2)N(2)O(3), which is an oxa­diazo­lone herbicide, the dihedral angle between the planes of the oxa­diazo­lone and benzene rings is 65.84 (6)°. In the crystal, w...

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Autores principales: Kang, Gihaeng, Kim, Jineun, Park, Hyunjin, 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/PMC4518994/
https://www.ncbi.nlm.nih.gov/pubmed/26279926
http://dx.doi.org/10.1107/S2056989015011524
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author Kang, Gihaeng
Kim, Jineun
Park, Hyunjin
Kim, Tae Ho
author_facet Kang, Gihaeng
Kim, Jineun
Park, Hyunjin
Kim, Tae Ho
author_sort Kang, Gihaeng
collection PubMed
description In the title compound {systematic name: 5-tert-butyl-3-[2,4-di­chloro-5-(prop-2-yn­yloxy)phen­yl]-1,3,4-oxa­diazol-2(3H)-one}, C(15)H(14)Cl(2)N(2)O(3), which is an oxa­diazo­lone herbicide, the dihedral angle between the planes of the oxa­diazo­lone and benzene rings is 65.84 (6)°. In the crystal, weak inter­molecular Cl⋯Cl [3.3600 (7) Å] short contacts link adjacent mol­ecules, forming chains along the b-axis direction. These chains are linked by C—H⋯O, C—H⋯N and C—H⋯Cl hydrogen bonds, generating a three-dimensional network. Weak C—H⋯π inter­actions are also present.
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spelling pubmed-45189942015-08-14 Crystal structure of oxadiarg­yl Kang, Gihaeng Kim, Jineun Park, Hyunjin Kim, Tae Ho Acta Crystallogr E Crystallogr Commun Data Reports In the title compound {systematic name: 5-tert-butyl-3-[2,4-di­chloro-5-(prop-2-yn­yloxy)phen­yl]-1,3,4-oxa­diazol-2(3H)-one}, C(15)H(14)Cl(2)N(2)O(3), which is an oxa­diazo­lone herbicide, the dihedral angle between the planes of the oxa­diazo­lone and benzene rings is 65.84 (6)°. In the crystal, weak inter­molecular Cl⋯Cl [3.3600 (7) Å] short contacts link adjacent mol­ecules, forming chains along the b-axis direction. These chains are linked by C—H⋯O, C—H⋯N and C—H⋯Cl hydrogen bonds, generating a three-dimensional network. Weak C—H⋯π inter­actions are also present. International Union of Crystallography 2015-06-20 /pmc/articles/PMC4518994/ /pubmed/26279926 http://dx.doi.org/10.1107/S2056989015011524 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
Park, Hyunjin
Kim, Tae Ho
Crystal structure of oxadiarg­yl
title Crystal structure of oxadiarg­yl
title_full Crystal structure of oxadiarg­yl
title_fullStr Crystal structure of oxadiarg­yl
title_full_unstemmed Crystal structure of oxadiarg­yl
title_short Crystal structure of oxadiarg­yl
title_sort crystal structure of oxadiarg­yl
topic Data Reports
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4518994/
https://www.ncbi.nlm.nih.gov/pubmed/26279926
http://dx.doi.org/10.1107/S2056989015011524
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