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


ABSTRACT: The title compound, C(14)H(12)N(2)O(2), 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 intra-molecular C-H?O inter-action. Supra-molecular layers, two mol-ecules 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 ?-? inter-actions between the components of the fused ring system and the phenyl ring of inversion-related mol-ecules [centroid-centroid distances = 3.6819?(13) and 3.6759?(12)?Å].

SUBMITTER: Asiri AM 

PROVIDER: S-EPMC3344066 | biostudies-literature | 2012 Apr

REPOSITORIES: biostudies-literature

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

Asiri Abdullah M AM   Faidallah Hassan M HM   Hameed Salem A SA   Ng Seik Weng SW   Tiekink Edward R T ER  

Acta crystallographica. Section E, Structure reports online 20120321 Pt 4


The title compound, C(14)H(12)N(2)O(2), 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 intra-molecular C-H⋯O inter-action. Supra-molecular layers, two mol-ecules 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 inter-actions between the components of the fused ring system and the phenyl ring of inversion-rel  ...[more]

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