Single-crystal X-ray study T = 294 K Mean (C-C) = 0.008 A R factor = 0.045 wR factor = 0.110 Data-to-parameter ratio = 7.2 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
(E)-3-[(1,5-Dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-ylimino)methylene]phenyl 4-methylbenzenesulfonate
✍ Scribed by Chen, Xin ;Yu, Ming
- Publisher
- International Union of Crystallography
- Year
- 2006
- Tongue
- English
- Weight
- 150 KB
- Volume
- 62
- Category
- Article
- ISSN
- 1600-5368
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✦ Synopsis
In the title compound, C 25 H 23 N 3 O 4 S, the central benzene ring makes dihedral angles of 8. 73 (3), 68.16 (7) and41.67 (7) with the pyrazolone ring, the sulfur-bound benzene ring and the phenyl ring, respectively. The crystal packing is stabilized by a weak non-classical intermolecular C-HÁ Á ÁO C hydrogen bond that forms a centrosymmetric dimer.
📜 SIMILAR VOLUMES
In the title compound, C 25 H 23 N 3 O 5 S, the vanillin group makes dihedral angles of 1.42 (11), 63.76 (10) and 51.00 (10) , respectively, with the pyrazolone ring, the phenyl ring attached to the sulfonyl group, and the phenyl ring attached to the pyrazolone ring. The crystal packing is governed
Single-crystal X-ray study T = 294 K Mean (C-C) = 0.006 A Disorder in solvent or counterion R factor = 0.046 wR factor = 0.133 Data-to-parameter ratio = 12.5 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
The NH unit on the exocyclic C C double bond in the title compound, C 25 H 23 N 3 O, interacts with the carbonyl group through an intramolecular hydrogen bond.