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3-(2-Methyl-benzyl-idene)-2,3-dihydro-1,5-benzothia-zepin-4(5H)-one.

ABSTRACT: In the crystal structure of the title compound, C(17)H(15)NOS, the mol-ecules form centrosymmetric dimers through pairs of N-H?O hydrogen bonds. The seven-membered ring adopts a distorted half-chair conformation.

SUBMITTER: Sridevi D

PROVIDER: S-EPMC3051627 | biostudies-literature | 2011 Jan

REPOSITORIES: biostudies-literature

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3-(2-Methyl-benzyl-idene)-2,3-dihydro-1,5-benzothia-zepin-4(5H)-one.

Sridevi D D Bhaskaran Sundari S Usha G G Murugan G G Bakthadoss M M

Acta crystallographica. Section E, Structure reports online 20110108 Pt 2

In the crystal structure of the title compound, C(17)H(15)NOS, the mol-ecules form centrosymmetric dimers through pairs of N-H⋯O hydrogen bonds. The seven-membered ring adopts a distorted half-chair conformation. ...[more]

PMID: 21522937

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3-[(Z)-Benzyl-idene]-2,3-dihydro-1,5-benzothia-zepin-4(5H)-one.

Project description:In the title compound, C(16)H(13)NOS, the seven-membered ring adopts a distorted half-chair conformation. In the crystal, mol-ecules are linked by N-H?O hydrogen bonds, forming chains running along the b axis. The crystal packing is further stabilized by C-H?O inter-actions.

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(Z)-3-(3,4-Dimeth-oxy-benzyl-idene)-2,3-dihydro-1,5-benzothia-zepin-4(5H)-one.

Project description:In the title compound, C18H17NO3S, the seven-membered thia-zepine ring adopts a slightly distorted sofa conformation. The dihedral angle between the mean plane of the benzothia-zepine ring system and the benzene ring is 5.9?(1)°. The mol-ecular conformation is stabilized by an intra-molecular C-H?S hydrogen bond, which generates an S(7) ring motif. In the crystal, N-H?O and C-H?O hydrogen bonds link inversion-related mol-ecules into dimers, incorporating R 1 (2)(6) and R 2 (2)(8) ring motifs; the acceptor O atom is bifurcated. These dimers are further linked by C-H?O hydrogen bonds, forming supra-molecular tapes running along the a axis. These are connected into the three-dimensional architecture by C-H?? inter-actions.

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(Z)-3-Benzyl-1,5-benzothia-zepin-4(5H)-one.

Project description:In the crystal structure of the title compound, C(16)H(13)NOS, mol-ecules are linked into cyclic centrosymmetric R(2) (2)(8) dimers via pairs of N-H?O hydrogen bonds. The seven-membered ring adopts a boat conformation.

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2-(Furan-2-yl)-5-(2-nitro-benz-yl)-2,3-dihydro-1,5-benzothia-zepin-4(5H)-one.

Project description:The title compound, C(20)H(16)N(2)O(4)S, was prepared by introduction of a 2-nitro-benzyl group to 2-(furan-2-yl)-2,3-dihydro-1,5-benzothia-zepin-4(5H)-one via an alkaline-catalysed reaction. The thia-zepine ring adopts a twist-boat conformation. The furan ring is oriented at dihedral angles of 56.75?(14) and 10.82?(14)° with respect to the two benzene rings, while the two benzene rings make a dihedral angle of 62.96?(10)°. Weak inter-molecular C-H?O hydrogen bonds occur in the crystal structure.

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Project description:In the crystal structure of the title compound, C(16)H(12)ClNOS, the mol-ecules are linked into centrosymmetric R(2) (2)(8) dimers via pairs of N-H?O hydrogen bonds. The seven-membered ring adopts a boat conformation.

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3,4-Dihydro-1,4-benzothia-zepin-5(2H)-one.

Project description:In the mol-ecule of the title compound, C(9)H(9)NOS, the seven-membered ring has a twist conformation. In the crystal structure, inter-molecular N-H?O hydrogen bonds link the mol-ecules into centrosymmetric dimers.

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Project description:In the title compound, C17H15NO2S, the two C atoms linking the S and carbonyl C atoms of the seven-membered thia-zepine ring are disordered over two sites, with occupancies of 0.511 (4) and 0.489 (4); both disorder components adopt distorted twist-boat conformations. In the crystal, N-H⋯O and C-H⋯O hydrogen bonds link inverted-related mol-ecules into dimers, incorporating R 1 (2)(6) and R 2 (2)(8) ring motifs; the acceptor carbonyl O atom is bifurcated. These dimers are further linked by C-H⋯O hydrogen bonds, forming supra-molecular tapes running along the a axis.

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4-Methyl-2,3-dihydro-1H-1,5-benzodiazepin-2-one monohydrate.

Project description:The seven-membered fused-ring in the title compound, C(10)H(10)N(2)O·H(2)O, adopts a boat conformation (with the two phenyl-ene C atoms representing the stern and the methyl-ene C atom the prow). In the crystal, two benzodiazepinone mol-ecules are linked about a center of inversion by diazepine-carbonyl N-H?O hydrogen bonds. The dimers are further linked by water-diazepine O-H?N hydrogen bonds, forming a linear chain.

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