Methyl 2-{[(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-ylidene)(thiophen-2-yl)methyl]amino}-3-phenylpropionate
In the title compound, C25H23N3O3S, an intramolecular N—H⋯O interaction 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...
| Main Authors: | , , , , |
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| Format: | Online |
| Language: | English |
| Published: |
International Union of Crystallography
2011
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| Online Access: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3213630/ |
| Summary: | In the title compound, C25H23N3O3S, an intramolecular N—H⋯O interaction 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 molecule 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). |
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