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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...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2016
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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). |
format | Online Article Text |
id | pubmed-5137616 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2016 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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