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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...

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Autores principales: Gupta, Satish Chandra, Mandal, Deo Kumar, Rani, Asha, Sahay, Anup, Prasad, Satya Murti
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
Materias:
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.
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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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