Potassium (4-methyl-2-oxo-2H-chromen-7-yloxy)sulfate
✍ Scribed by Sierosławski, Krzysztof ;Ślepokura, Katarzyna ;Lis, Tadeusz
- Publisher
- International Union of Crystallography
- Year
- 2006
- Tongue
- English
- Weight
- 204 KB
- Volume
- 62
- Category
- Article
- ISSN
- 1600-5368
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✦ Synopsis
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.
📜 SIMILAR VOLUMES
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.
The piperazine ring adopts an almost perfect chair conformation. Intermolecularinteractions and C-HÁ Á ÁO hydrogen bonds stabilize the crystal packing.
Single-crystal X-ray study T = 294 K Mean (C-C) = 0.003 A R factor = 0.029 wR factor = 0.072 Data-to-parameter ratio = 12.7 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
ÁCl À , contains two crystallographically independent cations and two chloride ions. The crystal structure is stabilized by intramolecular O-HÁ Á ÁO, and intermolecular N-HÁ Á ÁCl and O-HÁ Á ÁCl hydrogen bonds.
In the title molecule, C~11~H~8~O~5~, the non-H atoms of the coumarin unit are essentially coplanar; the methoxy and carboxylate groups form dihedral angles of 6.5 (4) and 6.7 (4)°, respectively, with this group. In the crystal structure, weak intermolecular C—H...O hydrogen bonds form chains of rin