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N-{(2S)-3-Hy-droxy-4-[(5-methyl-1,3,4-thia-diazol-2-yl)sulfan-yl]-1-phenyl-2-but-yl}-4-methyl-benzene-sulfonamide.

ABSTRACT: The thia-diazoyl and sulfonyl-benzene rings in the title compound, C(20)H(23)N(3)O(3)S(3), are aligned to the same side of the mol-ecule, forming a twisted 'U' shape [dihedral angle = 77.6?(5)°]. The benzyl-benzene ring is orientated in the opposite direction from the mol-ecule but projects approximately along the same axis as the other rings [dihedral angle between benzene rings = 28.2?(5)°] so that, overall, the mol-ecule has a flattened shape. The hy-droxy and amine groups are almost syn which enables the formation of inter-molecular hy-droxy-OH?N(thia-diazo-yl) and amine-H?O(sulfon-yl) hydrogen bonds leading to a supra-molecular chain aligned along the a axis.

SUBMITTER: Gomes CR 

PROVIDER: S-EPMC3200695 | biostudies-literature | 2011 Sep

REPOSITORIES: biostudies-literature

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N-{(2S)-3-Hy-droxy-4-[(5-methyl-1,3,4-thia-diazol-2-yl)sulfan-yl]-1-phenyl-2-but-yl}-4-methyl-benzene-sulfonamide.

Gomes Claudia R B CR   Vasconcelos Thatyana R A TR   Junior Walcimar T Vellasco WT   Cunico Wilson W   Wardell James L JL   Wardell Solange M S V SM   Tiekink Edward R T ER  

Acta crystallographica. Section E, Structure reports online 20110827 Pt 9

The thia-diazoyl and sulfonyl-benzene rings in the title compound, C(20)H(23)N(3)O(3)S(3), are aligned to the same side of the mol-ecule, forming a twisted 'U' shape [dihedral angle = 77.6 (5)°]. The benzyl-benzene ring is orientated in the opposite direction from the mol-ecule but projects approximately along the same axis as the other rings [dihedral angle between benzene rings = 28.2 (5)°] so that, overall, the mol-ecule has a flattened shape. The hy-droxy and amine groups are almost syn whic  ...[more]

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