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3,3'-Bis(3,4,5-trimethoxy-benzo-yl)-1,1'-(o-phenyl-ene)dithio-urea ethanol solvate.


ABSTRACT: In the mol-ecule of the title compound, C(28)H(30)N(4)O(8)S(2)·C(2)H(6)O, the benzene ring is oriented at dihedral angles of 38.50?(6) and 5.68?(5)° with respect to the trimethoxy-phenyl rings, while the two trimethoxy-phenyl rings are oriented at a dihedral angle of 44.18?(5)°. Intra-molecular N-H?O and N-H?S hydrogen bonds result in the formation of non-planar six-, seven- and eight-membered rings. The twisting modes of the two side arms are different [C-N-C-O and C-N-C-N torsion angles = 0.1?(3) and 11.8?(3)°, respectively, in one arm, and 4.6?(3) and -11.5?(3)° in the other]. In the crystal structure, inter-molecular N-H?O and O-H?O hydrogen bonds link the mol-ecules.

SUBMITTER: Du HT 

PROVIDER: S-EPMC2962238 | biostudies-literature | 2008 Jul

REPOSITORIES: biostudies-literature

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3,3'-Bis(3,4,5-trimethoxy-benzo-yl)-1,1'-(o-phenyl-ene)dithio-urea ethanol solvate.

Du Hai-Tang HT   Du Hai-Jun HJ  

Acta crystallographica. Section E, Structure reports online 20080731 Pt 8


In the mol-ecule of the title compound, C(28)H(30)N(4)O(8)S(2)·C(2)H(6)O, the benzene ring is oriented at dihedral angles of 38.50 (6) and 5.68 (5)° with respect to the trimethoxy-phenyl rings, while the two trimethoxy-phenyl rings are oriented at a dihedral angle of 44.18 (5)°. Intra-molecular N-H⋯O and N-H⋯S hydrogen bonds result in the formation of non-planar six-, seven- and eight-membered rings. The twisting modes of the two side arms are different [C-N-C-O and C-N-C-N torsion angles = 0.1   ...[more]

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