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

ABSTRACT: In the title compound, C(14)H(11)ClN(2)O(2), two independent mol-ecules (A and B) comprise the asymmetric unit with the main difference between them being the relative orientation of the pendent phenyl ring with respect to the fused-ring system [dihedral angles = 8.32?(8)° (A) and 28.32?(8)° (B)]. In the crystal, the A mol-ecules are connected into a linear supra-molecular chain along the a axis via C-H?O inter-actions and linked to this via C-H?Cl inter-actions are the B mol-ecules. The chains are connected into layers in the ab plane by ?-? inter-actions between pyrazole (A) and pyran (B) rings, and between pyrazole (B) and pyran (A) rings [centroid-centroid distances = 3.5442?(11) and 3.4022?(10)?Å, respectively].

SUBMITTER: Asiri AM 

PROVIDER: S-EPMC3394042 | biostudies-literature | 2012 Jul

REPOSITORIES: biostudies-literature

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

Asiri Abdullah M AM   Faidallah Hassan M HM   Alamry Khalid A KA   Ng Seik Weng SW   Tiekink Edward R T ER  

Acta crystallographica. Section E, Structure reports online 20120630 Pt 7

In the title compound, C(14)H(11)ClN(2)O(2), two independent mol-ecules (A and B) comprise the asymmetric unit with the main difference between them being the relative orientation of the pendent phenyl ring with respect to the fused-ring system [dihedral angles = 8.32 (8)° (A) and 28.32 (8)° (B)]. In the crystal, the A mol-ecules are connected into a linear supra-molecular chain along the a axis via C-H⋯O inter-actions and linked to this via C-H⋯Cl inter-actions are the B mol-ecules. The chains  ...[more]

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