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10-Acetyl-10H-phenothia-zine 5-oxide.

ABSTRACT: In the title compound, C(14)H(11)NO(2)S, the sulfoxide O atom is disordered over two sites with occupancies of 0.886?(4) and 0.114?(4), reflecting a partial inversion of the lone pair at the tetra-hedral S-atom site. In the crystal, a supra-molecular arrangement arises from weak inter-molecular C-H?O hydrogen bonds. ?-? contacts between the aromatic rings of symmetry-related mol-ecules [centroid-centroid distances = 3.7547?(15) and 3.9577?(15)?Å] in parallel accumulation further stabilize the crystal structure.

SUBMITTER: Wang Q

PROVIDER: S-EPMC2977198 | biostudies-literature | 2009 Jul

REPOSITORIES: biostudies-literature

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10-Acetyl-10H-phenothia-zine 5-oxide.

Wang Qiang Q Yang Lei L Xu Zhouqing Z Sun Yanchun Y

Acta crystallographica. Section E, Structure reports online 20090725 Pt 8

In the title compound, C(14)H(11)NO(2)S, the sulfoxide O atom is disordered over two sites with occupancies of 0.886 (4) and 0.114 (4), reflecting a partial inversion of the lone pair at the tetra-hedral S-atom site. In the crystal, a supra-molecular arrangement arises from weak inter-molecular C-H⋯O hydrogen bonds. π-π contacts between the aromatic rings of symmetry-related mol-ecules [centroid-centroid distances = 3.7547 (15) and 3.9577 (15) Å] in parallel accumulation further stabilize the cr ...[more]

PMID: 21583654

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