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4-({[4-Amino-5-(4-chloro-anilinometh-yl)-4H-1,2,4-triazol-3-yl]sulfan-yl}acet-yl)-3-(4-meth-oxy-phen-yl)-1,2,3-oxadiazol-3-ium-5-olate.

ABSTRACT: In the title sydnone compound, C(20)H(18)ClN(7)O(4)S, the oxadiazole, triazole, chloro-substituted and meth-oxy-substituted phenyl rings are essentially planar, with maximum deviations of 0.007?(3), 0.009?(2), 0.017?(2) and 0.002?(3)?Å, respectively. The dihedral angles between the chloro-substituted phenyl ring and the triazole ring, the triazole ring and the oxadiazole ring, and the oxadiazole ring and the methoxy-substituted phenyl ring are 80.02?(13), 85.68?(14) and 51.62?(14)°, respectively. In the crystal, mol-ecules are connected via inter-molecular N-H?N, N-H?O and C-H?O hydrogen bonds, forming sheets lying parallel to the ac plane.

SUBMITTER: Fun HK 

PROVIDER: S-EPMC3011622 | biostudies-literature | 2010 Nov

REPOSITORIES: biostudies-literature

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4-({[4-Amino-5-(4-chloro-anilinometh-yl)-4H-1,2,4-triazol-3-yl]sulfan-yl}acet-yl)-3-(4-meth-oxy-phen-yl)-1,2,3-oxadiazol-3-ium-5-olate.

Fun Hoong-Kun HK   Hemamalini Madhukar M   Nithinchandra   Kalluraya Balakrishna B  

Acta crystallographica. Section E, Structure reports online 20101113 Pt 12

In the title sydnone compound, C(20)H(18)ClN(7)O(4)S, the oxadiazole, triazole, chloro-substituted and meth-oxy-substituted phenyl rings are essentially planar, with maximum deviations of 0.007 (3), 0.009 (2), 0.017 (2) and 0.002 (3) Å, respectively. The dihedral angles between the chloro-substituted phenyl ring and the triazole ring, the triazole ring and the oxadiazole ring, and the oxadiazole ring and the methoxy-substituted phenyl ring are 80.02 (13), 85.68 (14) and 51.62 (14)°, respectively  ...[more]

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