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Crystal structure of 3-(3-oxo-2,3,4,4a,5,6-hexahydrobenzo[h]cinnolin-2-yl)propionic acid
- Source :
- Acta Crystallographica Section E, Vol 70, Iss 10, Pp o1088-o1089 (2014)
- Publication Year :
- 2014
- Publisher :
- International Union of Crystallography, 2014.
-
Abstract
- The asymmetric unit of the title compound, C15H16N2O3, contains two independent molecules, which present a different conformation of the carboxylic acid side chain [C—C—C—OH torsion angles = 65.3 (7) and −170.1 (5)°]. In both molecules, the dihydropyridazinone ring adopts a geometry intermediate between a twisted-boat and a half-chair conformation, while the central six-membered ring is almost in a half-boat conformation. In the crystal, molecules are linked by O—H...Ok (k = ketone) hydrogen bonds, generating [01-1] chains. Aromatic π–π stacking contacts between the benzene and the dihydropyridazinone rings [centroid–centroid distance [3.879 (9) Å] are also observed.
- Subjects :
- crystal structure
pyridazinone moiety
stat3 inhibitor
Crystallography
QD901-999
Subjects
Details
- Language :
- English
- ISSN :
- 16005368
- Volume :
- 70
- Issue :
- 10
- Database :
- Directory of Open Access Journals
- Journal :
- Acta Crystallographica Section E
- Publication Type :
- Academic Journal
- Accession number :
- edsdoj.05ce94ad64aed9920f77265379135
- Document Type :
- article
- Full Text :
- https://doi.org/10.1107/S1600536814019850