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1-(10H-phenothia-zin-10-yl)ethanone.

ABSTRACT: In the title compound, C14H11NOS, the phenothia-zine unit has a butterfly conformation and the central six-membered ring has a boat form. The fold angle between the benzene rings is 46.39 (7)°, which is larger than found in similar compounds, probably as a result of steric repulsion between the phenothia-zine fragment and the acetyl group.

SUBMITTER: Tokunaga E

PROVIDER: S-EPMC3588965 | biostudies-literature | 2012 Dec

REPOSITORIES: biostudies-literature

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1-(10H-phenothia-zin-10-yl)ethanone.

Tokunaga Eri E Okuno Tsunehisa T

Acta crystallographica. Section E, Structure reports online 20121117 Pt 12

In the title compound, C14H11NOS, the phenothia-zine unit has a butterfly conformation and the central six-membered ring has a boat form. The fold angle between the benzene rings is 46.39 (7)°, which is larger than found in similar compounds, probably as a result of steric repulsion between the phenothia-zine fragment and the acetyl group. ...[more]

PMID: 23476201

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1-(5,5-Dioxido-10H-phenothia-zin-10-yl)ethanone.

Project description:In the title compound, C(14)H(11)NO(3)S, the six-membered thia-zine ring fused to two benzene rings adopts a distorted boat conformation. The dihedral angle between the mean planes of the two benzene rings is 45.8 (1)°. The crystal packing is stabilized by weak inter-molecular C-H⋯O inter-actions.

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1-(10H-Phenothia-zin-2-yl)ethanone.

Project description:In the title compound, C(14)H(11)NOS, the thia-zine ring adopts a slightly distorted boat conformation. The dihedral angle between the mean planes of the two benzene rings is 20.2 (9)°. An inter-molecular N-H⋯O hydrogen bond and a weak C-H⋯π inter-action occur in the crystal, creating a two-dimensional network parallel to the bc plane.

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Project description:In the mol-ecule of the title compound, C(15)H(11)NS, the butterfly angle between the two planes defined by the two wings of the phenothia-zine unit is 33.5 (8)°. The dihedral angles between the two benzene rings and the propynyl group are 85 (4) and 63 (4)°.

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10-(Prop-1-yn-1-yl)-10H-phenothia-zine.

Project description:In the title compound, C(15)H(11)NS, the asymmetric unit comprises one half-mol-ecule; a mirror plane passes through the S atom, the ynamine fragment, the methyl C atom and one methyl H atom. The phenothia-zine moiety has a butterfly conformation and the central six-membered ring has a boat conformation. The dihedral angle between the benzene rings is 149.40 (4)°. The crystal structure is stabilized by van der Waals inter-actions.

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The cocrystal 10-(2-methyl-4-phenyl-1H-inden-6-yl)-10H-phenothia-zine-10-(2-methyl-7-phenyl-1H-inden-5-yl)-10H-phenothia-zine (0.54/0.46).

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10-Ethyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)-10H-phenothia-zine.

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Project description:In the title mol-ecule, C(15)H(13)NOS, the two benzene rings of the tricyclic fused-ring system are inclined at 21.1 (1)°. In the crystal, weak C-H⋯O hydrogen bonds link the mol-ecules into chains along [001]. The crystal packing also exhibits π-π inter-actions with a distance of 3.801 (5) Å between the centroids of the benzene rings of neighbouring mol-ecules.

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10-Hexyl-10H-phenothia-zine-3-carbaldehyde.

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10-Benzyl-10H-phenothia-zine 9-oxide.

Project description:In the title compound, C(19)H(15)NOS, the butterfly angle between the mean planes defined by the S, N and phenyl C atoms of the two wings of the phenothiazine unit is 23.4 (1)°. In the crystal, a supra-molecular two-dimensional arrangement arises from weak inter-molecular C-H⋯O inter-actions.

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

Project description: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 crystal structure.

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