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3-[3-Methyl-4-(4-nitro-benzyl-idene-amino)-5-sulfanyl-idene-4,5-dihydro-1H-1,2,4-triazol-1-yl]-1,3-diphenyl-propan-1-one dichloro-methane monosolvate.

ABSTRACT: In the title compound, C(25)H(21)N(5)O(3)S·CH(2)Cl(2), the dichloro-methane solvent mol-ecule is disordered over four positions, with an occupancy ratio of 0.271?(3):0.3884?(18):0.298?(2):0.0424?(15). The 1,2,4-triazole ring makes dihedral angles of 47.3?(2)/87.3?(2) and 3.6?(2)° with the phenyl and nitro-phenyl rings, respectively. An intra-molecular C-H?S hydrogen bond results in the formation of an almost planar six-membered ring [r.m.s. derivation = 0.0051?(2)?Å]. Inter-molecular C-H?O hydrogen bonding consolidates the structure.

SUBMITTER: Wang W 

PROVIDER: S-EPMC3247519 | biostudies-literature | 2011 Nov

REPOSITORIES: biostudies-literature

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3-[3-Methyl-4-(4-nitro-benzyl-idene-amino)-5-sulfanyl-idene-4,5-dihydro-1H-1,2,4-triazol-1-yl]-1,3-diphenyl-propan-1-one dichloro-methane monosolvate.

Wang Wei W   Jia Wei-Min WM   Xu Chao C   Wu Wen-Peng WP   Liu Qing-Lei QL  

Acta crystallographica. Section E, Structure reports online 20111029 Pt 11

In the title compound, C(25)H(21)N(5)O(3)S·CH(2)Cl(2), the dichloro-methane solvent mol-ecule is disordered over four positions, with an occupancy ratio of 0.271 (3):0.3884 (18):0.298 (2):0.0424 (15). The 1,2,4-triazole ring makes dihedral angles of 47.3 (2)/87.3 (2) and 3.6 (2)° with the phenyl and nitro-phenyl rings, respectively. An intra-molecular C-H⋯S hydrogen bond results in the formation of an almost planar six-membered ring [r.m.s. derivation = 0.0051 (2) Å]. Inter-molecular C-H⋯O hydro  ...[more]

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