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3-(2,3-Dimethyl-5-oxo-1-phenyl-2,5-di-hydro-1H-pyrazol-4-yl)sydnone.

ABSTRACT: IN THE TITLE SYDNONE COMPOUND [SYSTEMATIC NAME: 3-(2,3-dimethyl-5-oxo-1-phenyl-2,5-dihydro-1H-pyrazol-4-yl)-1,2,3-oxadiazol-3-ium-5-olate], C(13)H(12)N(4)O(3), the oxadiazole and pyrazole rings are essentially planar [maximum deviations = 0.006?(1) and 0.019?(1)?Å, respectively] and are inclined at inter-planar angles of 37.84?(4) and 46.60?(4)°, respectively, with respect to the benzene ring. In the crystal, adjacent mol-ecules are inter-connected into a three-dimensional supra-molecular network via inter-molecular C-H?O hydrogen bonds. Weak inter-molecular ?-? aromatic stacking inter-actions [centroid-centroid distance = 3.5251?(5)?Å] further stabilize the crystal packing.

SUBMITTER: Goh JH 

PROVIDER: S-EPMC2979459 | biostudies-literature | 2010 May

REPOSITORIES: biostudies-literature

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3-(2,3-Dimethyl-5-oxo-1-phenyl-2,5-di-hydro-1H-pyrazol-4-yl)sydnone.

Goh Jia Hao JH   Fun Hoong-Kun HK   Nithinchandra   Kalluraya B B  

Acta crystallographica. Section E, Structure reports online 20100508 Pt 6

IN THE TITLE SYDNONE COMPOUND [SYSTEMATIC NAME: 3-(2,3-dimethyl-5-oxo-1-phenyl-2,5-dihydro-1H-pyrazol-4-yl)-1,2,3-oxadiazol-3-ium-5-olate], C(13)H(12)N(4)O(3), the oxadiazole and pyrazole rings are essentially planar [maximum deviations = 0.006 (1) and 0.019 (1) Å, respectively] and are inclined at inter-planar angles of 37.84 (4) and 46.60 (4)°, respectively, with respect to the benzene ring. In the crystal, adjacent mol-ecules are inter-connected into a three-dimensional supra-molecular networ  ...[more]

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