Single-crystal X-ray study T = 100 K Mean (C-C) = 0.004 A R factor = 0.056 wR factor = 0.105 Data-to-parameter ratio = 12.2 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
4-Methyl-7-[3-(4-o-tolylpiperazin-1-yl)propoxy]-2H-chromen-2-one
✍ Scribed by Zhou, Xiang ;Wang, Xiao-Bing ;Kong, Ling-Yi
- Publisher
- International Union of Crystallography
- Year
- 2006
- Tongue
- English
- Weight
- 150 KB
- Volume
- 63
- Category
- Article
- ISSN
- 1600-5368
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✦ Synopsis
The piperazine ring adopts an almost perfect chair conformation. Intermolecularinteractions and C-HÁ Á ÁO hydrogen bonds stabilize the crystal packing.
📜 SIMILAR VOLUMES
The geometric parameters of the title molecule, C~27~H~25~NO~4~, are in the usual ranges. The central C=C double bond is __trans__ configured, with the two C atoms slightly twisted out of the plane of the naphthyl group. The dihedral angle between the two fused ring systems is 40.90 (4)°.
In the title compound, C 19 H 20 N 2 O 5 Á0.19H 2 O, the coumarin moiety is oriented almost perpendicular to the plane of the pyrazole ring. The crystal structure is stabilized by weak intermolecular CÐHÁ Á Á% interactions.