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Crystal structure of oxam­yl

The title compound, C(7)H(13)N(3)O(3)S [systematic name: (Z)-methyl 2-di­methyl­amino-N-(methyl­carbamo­yloxy)-2-oxoethanimido­thio­ate], is an oxime carbamate acaride, insecticide and nematicide. The asymmetric unit comprises two independent mol­ecules, A and B. The dihedral angles between the mean...

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Autores principales: Kwon, Eunjin, Park, Ki-Min, Park, Hyunjin, Kim, Tae Ho
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2016
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5137616/
https://www.ncbi.nlm.nih.gov/pubmed/27980838
http://dx.doi.org/10.1107/S2056989016018168
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author Kwon, Eunjin
Park, Ki-Min
Park, Hyunjin
Kim, Tae Ho
author_facet Kwon, Eunjin
Park, Ki-Min
Park, Hyunjin
Kim, Tae Ho
author_sort Kwon, Eunjin
collection PubMed
description The title compound, C(7)H(13)N(3)O(3)S [systematic name: (Z)-methyl 2-di­methyl­amino-N-(methyl­carbamo­yloxy)-2-oxoethanimido­thio­ate], is an oxime carbamate acaride, insecticide and nematicide. The asymmetric unit comprises two independent mol­ecules, A and B. The dihedral angles between the mean planes [r.m.s. deviations = 0.0017 (A) and 0.0016 Å (B)] of the acetamide and oxyimino groups are 88.80 (8)° for A and 87.05 (8)° for B. In the crystal, N/C—H⋯O hydrogen bonds link adjacent mol­ecules, forming chains along the a axis. The chains are further linked by C—H⋯O hydrogen bonds, resulting in a three-dimensional network with alternating rows of A and B mol­ecules in the bc plane stacked along the a-axis direction. The structure was refined as an inversion twin with a final BASF parameter of 0.16 (9).
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spelling pubmed-51376162016-12-15 Crystal structure of oxam­yl Kwon, Eunjin Park, Ki-Min Park, Hyunjin Kim, Tae Ho Acta Crystallogr E Crystallogr Commun Research Communications The title compound, C(7)H(13)N(3)O(3)S [systematic name: (Z)-methyl 2-di­methyl­amino-N-(methyl­carbamo­yloxy)-2-oxoethanimido­thio­ate], is an oxime carbamate acaride, insecticide and nematicide. The asymmetric unit comprises two independent mol­ecules, A and B. The dihedral angles between the mean planes [r.m.s. deviations = 0.0017 (A) and 0.0016 Å (B)] of the acetamide and oxyimino groups are 88.80 (8)° for A and 87.05 (8)° for B. In the crystal, N/C—H⋯O hydrogen bonds link adjacent mol­ecules, forming chains along the a axis. The chains are further linked by C—H⋯O hydrogen bonds, resulting in a three-dimensional network with alternating rows of A and B mol­ecules in the bc plane stacked along the a-axis direction. The structure was refined as an inversion twin with a final BASF parameter of 0.16 (9). International Union of Crystallography 2016-11-18 /pmc/articles/PMC5137616/ /pubmed/27980838 http://dx.doi.org/10.1107/S2056989016018168 Text en © Kwon et al. 2016 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 Research Communications
Kwon, Eunjin
Park, Ki-Min
Park, Hyunjin
Kim, Tae Ho
Crystal structure of oxam­yl
title Crystal structure of oxam­yl
title_full Crystal structure of oxam­yl
title_fullStr Crystal structure of oxam­yl
title_full_unstemmed Crystal structure of oxam­yl
title_short Crystal structure of oxam­yl
title_sort crystal structure of oxam­yl
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5137616/
https://www.ncbi.nlm.nih.gov/pubmed/27980838
http://dx.doi.org/10.1107/S2056989016018168
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