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Ethyl 3-oxo-2-(2-phenyl-hydrazinyl-idene)butano-ate: a re-determination.

ABSTRACT: The previous crystallographic studies [Wang et al. (2005 ?). Huaxue Yanjiu16, 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 eth-oxy 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-yl-idene)hydrazine segment of the mol-ecule are close to being coplanar, with a maximum deviation of 0.0779?(14)?Å for the phenyl-amino N atom and an intra-molecular N-H?O hydrogen bond generates an S(6) ring. In the crystal, pairs of C-H?O hydrogen bonds link mol-ecules into inverson dimers, generating R(2) (2)(16) loops.

SUBMITTER: Gupta SC

PROVIDER: S-EPMC3051542 | biostudies-literature | 2011 Jan

REPOSITORIES: biostudies-literature

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Ethyl 3-oxo-2-(2-phenyl-hydrazinyl-idene)butano-ate: a re-determination.

Gupta Satish Chandra SC Mandal Deo Kumar DK Rani Asha A Sahay Anup A Prasad Satya Murti SM

Acta crystallographica. Section E, Structure reports online 20110122 Pt 2

The previous crystallographic studies [Wang et al. (2005 ▶). Huaxue Yanjiu16, 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 eth-oxy 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-yl-idene)hydrazine segment of the mol-e ...[more]

PMID: 21523121

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