Literature DB >> 22091207

Methyl 2-{[(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl-idene)(thio-phen-2-yl)meth-yl]amino}-3-phenyl-propionate.

Hualing Zhu1, Xinxin Zhao, Zhan Wang, Junjie Ren, Miao Zhang.   

Abstract

In the title compound, C(25)H(23)N(3)O(3)S, an intra-molecular N-H⋯O inter-action generates an S(6) ring, which stabilizes the enamine-keto form of the compound. This S(6) ring and the pyrazole ring are essentially coplanar, making a dihedral angle of 1.49 (6)°. The bond lengths within the S(6) ring of the mol-ecule lie between classical single- and double-bond lengths, indicating extensive conjugation. The structure exhibits a thienyl-ring flip disorder, with occupancy factors in the ratio 64.7 (3):35.3 (3).

Entities:  

Year:  2011        PMID: 22091207      PMCID: PMC3213630          DOI: 10.1107/S1600536811029904

Source DB:  PubMed          Journal:  Acta Crystallogr Sect E Struct Rep Online        ISSN: 1600-5368


  3 in total

1.  A short history of SHELX.

Authors:  George M Sheldrick
Journal:  Acta Crystallogr A       Date:  2007-12-21       Impact factor: 2.290

2.  Ethyl 2-{[(1Z)-(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl-idene)(p-tol-yl)meth-yl]amino}-3-phenyl-propanoate.

Authors:  Xin Zhang; Meng Huang; Cong Du; Junjing Han
Journal:  Acta Crystallogr Sect E Struct Rep Online       Date:  2010-01-09

3.  Methyl 2-{1-[(Z)-3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl-idene]ethyl-amino}-3-phenyl-propanoate.

Authors:  Hualing Zhu; Jun Shi; Zhen Wei; Ronghua Dai; Xin Zhang
Journal:  Acta Crystallogr Sect E Struct Rep Online       Date:  2010-05-15
  3 in total

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