3,6-Dimethyl-1-phenyl-1H,4H-pyrano[2,3-c]pyrazol-4-one

The title compound, C14H12N2O2, is almost planar with an r.m.s. deviation for all non-H atoms of 0.038 Å. The observed planarity is rationalized in terms of a close intramolecular C—H...O interaction. Supramolecular layers, two molecules thick and with a step...

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Bibliographic Details
Main Authors: Abdullah M. Asiri, Hassan M. Faidallah, Salem A. Hameed, Seik Weng Ng, Edward R. T. Tiekink
Format: Article
Language:English
Published: International Union of Crystallography 2012-04-01
Series:Acta Crystallographica Section E
Online Access:http://scripts.iucr.org/cgi-bin/paper?S1600536812011348
Description
Summary:The title compound, C14H12N2O2, is almost planar with an r.m.s. deviation for all non-H atoms of 0.038 Å. The observed planarity is rationalized in terms of a close intramolecular C—H...O interaction. Supramolecular layers, two molecules thick and with a step topology, are formed in the crystal packing via C—H...O contacts involving the carbonyl O atom, which accepts two such bonds, and π–π interactions between the components of the fused ring system and the phenyl ring of inversion-related molecules [centroid–centroid distances = 3.6819 (13) and 3.6759 (12) Å].
ISSN:1600-5368