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Ethyl 3-oxo-2-(2-phenylhydrazinylidene)butanoate: a re-determination
The previous crystallographic studies [Wang et al. (2005 ▶). Huaxue Yanjiu 16, 29–32; Wang et al. (2007 ▶). Youji Huaxue, 27, 524] of the title compound, C(12)H(14)N(2)O(3), gave only the unit-cell dimensions and an R factor with no other details available: the full structure is presented here. The...
Autores principales: | , , , , |
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Formato: | Texto |
Lenguaje: | English |
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International Union of Crystallography
2011
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Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3051542/ https://www.ncbi.nlm.nih.gov/pubmed/21523121 http://dx.doi.org/10.1107/S1600536811002200 |
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author | Gupta, Satish Chandra Mandal, Deo Kumar Rani, Asha Sahay, Anup Prasad, Satya Murti |
author_facet | Gupta, Satish Chandra Mandal, Deo Kumar Rani, Asha Sahay, Anup Prasad, Satya Murti |
author_sort | Gupta, Satish Chandra |
collection | PubMed |
description | The previous crystallographic studies [Wang et al. (2005 ▶). Huaxue Yanjiu 16, 29–32; Wang et al. (2007 ▶). Youji Huaxue, 27, 524] of the title compound, C(12)H(14)N(2)O(3), gave only the unit-cell dimensions and an R factor with no other details available: the full structure is presented here. The ethoxy group is disordered over two orientations with refined occupancies of 0.642 (15):0.358 (15). The nine C atoms and two N atoms of the 1-phenyl-2-(propan-2-ylidene)hydrazine segment of the molecule are close to being coplanar, with a maximum deviation of 0.0779 (14) Å for the phenylamino N atom and an intramolecular N—H⋯O hydrogen bond generates an S(6) ring. In the crystal, pairs of C—H⋯O hydrogen bonds link molecules into inverson dimers, generating R (2) (2)(16) loops. |
format | Text |
id | pubmed-3051542 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2011 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-30515422011-04-26 Ethyl 3-oxo-2-(2-phenylhydrazinylidene)butanoate: a re-determination Gupta, Satish Chandra Mandal, Deo Kumar Rani, Asha Sahay, Anup Prasad, Satya Murti Acta Crystallogr Sect E Struct Rep Online Organic Papers The previous crystallographic studies [Wang et al. (2005 ▶). Huaxue Yanjiu 16, 29–32; Wang et al. (2007 ▶). Youji Huaxue, 27, 524] of the title compound, C(12)H(14)N(2)O(3), gave only the unit-cell dimensions and an R factor with no other details available: the full structure is presented here. The ethoxy group is disordered over two orientations with refined occupancies of 0.642 (15):0.358 (15). The nine C atoms and two N atoms of the 1-phenyl-2-(propan-2-ylidene)hydrazine segment of the molecule are close to being coplanar, with a maximum deviation of 0.0779 (14) Å for the phenylamino N atom and an intramolecular N—H⋯O hydrogen bond generates an S(6) ring. In the crystal, pairs of C—H⋯O hydrogen bonds link molecules into inverson dimers, generating R (2) (2)(16) loops. International Union of Crystallography 2011-01-22 /pmc/articles/PMC3051542/ /pubmed/21523121 http://dx.doi.org/10.1107/S1600536811002200 Text en © Gupta et al. 2011 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 | Organic Papers Gupta, Satish Chandra Mandal, Deo Kumar Rani, Asha Sahay, Anup Prasad, Satya Murti Ethyl 3-oxo-2-(2-phenylhydrazinylidene)butanoate: a re-determination |
title | Ethyl 3-oxo-2-(2-phenylhydrazinylidene)butanoate: a re-determination |
title_full | Ethyl 3-oxo-2-(2-phenylhydrazinylidene)butanoate: a re-determination |
title_fullStr | Ethyl 3-oxo-2-(2-phenylhydrazinylidene)butanoate: a re-determination |
title_full_unstemmed | Ethyl 3-oxo-2-(2-phenylhydrazinylidene)butanoate: a re-determination |
title_short | Ethyl 3-oxo-2-(2-phenylhydrazinylidene)butanoate: a re-determination |
title_sort | ethyl 3-oxo-2-(2-phenylhydrazinylidene)butanoate: a re-determination |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3051542/ https://www.ncbi.nlm.nih.gov/pubmed/21523121 http://dx.doi.org/10.1107/S1600536811002200 |
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