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10-(1,2,2-Trichloro-vin-yl)-10H-pheno-thia-zine 5,5-dioxide.

ABSTRACT: The title compound, C(14)H(8)Cl(3)NO(2)S, forms a dimeric structure by inter-molecular Cl⋯O=S inter-actions. The dimers make a two-dimensional array parallel to (101) by other Cl⋯O=S inter-actions. The two-dimensional network is found to be kept unchanged, although the trichloro-vinyl group is disordered (relative occupancies 0.65:0.35).

SUBMITTER: Tabata H

PROVIDER: S-EPMC3414969 | biostudies-literature |

REPOSITORIES: biostudies-literature

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Crystal structure of 10-ethyl-7-(9-ethyl-9H-carbazol-3-yl)-10H-pheno-thia-zine-3-carbaldehyde.

Project description:The title compound, C29H24N2OS, contains a pheno-thia-zine moiety linked to a planar carbazole unit (r.m.s. deviation = 0.029 Å) by a C-C single bond. The pheno-thia-zine moiety possesses a typical non-planar butterfly structure with a fold angle of 27.36 (9)° between the two benzene rings. The dihedral angle between the mean planes of the carbazole and pheno-thia-zine units is 27.28 (5)°. In the crystal, mol-ecules stack in pairs along the c-axis direction, linked by offset π-π inter-actions [inter-centroid distance = 3.797 (1) Å]. There are C-H⋯π inter-actions present linking these dimers to form a three-dimensional structure.

| S-EPMC5418793 | biostudies-literature

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. ?-? 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.

| S-EPMC2977198 | biostudies-literature

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.

| S-EPMC2977256 | biostudies-literature

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

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.

| S-EPMC3238990 | biostudies-literature

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

Project description:The asymmetric unit of the title compound, C(19)H(21)NOS, contains two mol-ecules, which form dimers via pairs of weak C-H⋯O hydrogen bonds.

| S-EPMC2960062 | biostudies-literature

10-(Prop-2-yn-yl)-10H-phenothia-zine.

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)°.

| S-EPMC3009285 | biostudies-literature

2-Methyl-3-(10H-pheno-thia-zin-10-yl)buta-1,3-diene-1,1,4,4-tetra-carbo-nitrile.

Project description:In the title compound, C21H11N5S, the pheno-thia-zine unit has a butterfly structure, and the central six-membered ring adopts a boat conformation. The dihedral angle between the benzene rings is 127.64?(6)°, which is smaller than those reported for similar compounds because of the steric repulsion between the pheno-thia-zine and its tetra-cyano-1,3-butadiene substituent. The di-cyano-vinyl groups are almost orthogonal to one another, making a dihedral angle of 80.58?(6)°. In the crystal, the mol-ecules are aligned along the b axis. Four kinds of weak C-H?N inter-actions are recognized, one of which connects the mol-ecules into a one-dimensional array and the remaining three link these arrays.

| S-EPMC3647861 | biostudies-other

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.

| S-EPMC3435820 | biostudies-literature

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.

| S-EPMC3151987 | biostudies-literature

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).

Project description:The title compound, 0.535C(28)H(21)NS.0.465C(28)H(21)NS, was synthesized by palladium-catalysed amination. The structure is composed of two isomeric mol-ecules, viz. 10-(2-methyl-4-phenyl-1H-inden-6-yl)-10H-phenothia-zine, and 10-(2-methyl-7-phenyl-1H-inden-5-yl)-10H-phenothia-zine, in the refined ratio 0.535 (12):0.465 (12). The isomers differ by the localization of the double bond in the cyclo-penta-diene ring. There are two sites in the structure that are occupied by the isomers. The respective isomers are occupationally disordered in each site, the refined proportions being 0.640 (6):0.360 (6) and 0.43 (1):0.57 (1). Moreover, each isomeric mol-ecule is chiral; due to the crystallographic centres of symmetry, the mol-ecules are also present in enanti-omeric pairs. The crystal structure is stabilized by weak π-π [C⋯C = 3.389 (2) Å] inter-actions.

| S-EPMC2959856 | biostudies-literature

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