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(4R,11R)-9-(1-hydroxypropan-2-yl)-4,11-diphenyl-1,3,5,7,9-pentaazatri-cyclo[5.3.1.0]undecane-2,6-dithione.

ABSTRACT: The asymmetric unit of the title compound, C(21)H(23)N(5)OS(2), contains two independent chiral mol-ecules. The two phenyl rings of one mol-ecule form a dihedral angle of 51.95?(7)° and the distance between their centroids is 4.345?(1)?Å. In the other mol-ecule, the phenyl rings form a dihedral angle of 58.79?(8)° with a ring centroid-centroid distance of 4.435?(2)?Å. An intra-molecular O-H?N hydrogen bond occurs in each independent mol-ecule. The crystal packing is stabilized by and inter-molecular N-H?O and N-H?S hydrogen bonds and C-H?S inter-actions.

SUBMITTER: Wang M 

PROVIDER: S-EPMC3213506 | biostudies-literature | 2011 Aug

REPOSITORIES: biostudies-literature

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(4R,11R)-9-(1-hydroxypropan-2-yl)-4,11-diphenyl-1,3,5,7,9-pentaazatri-cyclo[5.3.1.0]undecane-2,6-dithione.

Wang Meng M   Wang Jungang J   Xiang Jiacheng J  

Acta crystallographica. Section E, Structure reports online 20110716 Pt 8

The asymmetric unit of the title compound, C(21)H(23)N(5)OS(2), contains two independent chiral mol-ecules. The two phenyl rings of one mol-ecule form a dihedral angle of 51.95 (7)° and the distance between their centroids is 4.345 (1) Å. In the other mol-ecule, the phenyl rings form a dihedral angle of 58.79 (8)° with a ring centroid-centroid distance of 4.435 (2) Å. An intra-molecular O-H⋯N hydrogen bond occurs in each independent mol-ecule. The crystal packing is stabilized by and inter-molec  ...[more]

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