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(Z)-3-(4-Chloro-benz-yl)-1,5-benzothia-zepin-4(5H)-one.

ABSTRACT: In the title compound, C(16)H(12)ClNOS, the seven-membered thia-zepine ring adopts a distorted twisted boat conformation. The dihedral angle between the least-squares planes of the 1,5-benzothia-zepine ring system and the benzene ring is 50.2 (1)°. In the crystal, pairs of N-H⋯O hydrogen bonds link centrosymmetrically related mol-ecules into dimers, generating R(2) (2)(8) ring motifs. The crystal packing is further stabilized by π-π inter-actions [centroid-centroid distance = 3.763 (2) Å].

SUBMITTER: Lakshmanan D

PROVIDER: S-EPMC3393941 | biostudies-literature | 2012 Jul

REPOSITORIES: biostudies-literature

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(Z)-3-(4-Chloro-benz-yl)-1,5-benzothia-zepin-4(5H)-one.

Lakshmanan D D Murugavel S S Selvakumar R R Bakthadoss M M

Acta crystallographica. Section E, Structure reports online 20120616 Pt 7

In the title compound, C(16)H(12)ClNOS, the seven-membered thia-zepine ring adopts a distorted twisted boat conformation. The dihedral angle between the least-squares planes of the 1,5-benzothia-zepine ring system and the benzene ring is 50.2 (1)°. In the crystal, pairs of N-H⋯O hydrogen bonds link centrosymmetrically related mol-ecules into dimers, generating R(2) (2)(8) ring motifs. The crystal packing is further stabilized by π-π inter-actions [centroid-centroid distance = 3.763 (2) Å]. ...[more]

PMID: 22798806

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(Z)-3-(2-Chloro-benz-yl)-1,5-benzothia-zepin-4(5H)-one.

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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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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(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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(Z)-3-(2,4-Dichloro-benz-yl)-1,5-benzo-thia-zepin-4(5H)-one.

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(Z)-3-(2-Meth-oxy-benz-yl)-1,5-benzo-thia-zepin-4(5H)-one.

Project description:In the title compound, C(17)H(15)NO(2)S, the seven-membered thia-zepine ring adopts a distorted twist-boat conformation. The dihedral angle between the mean planes of the benzothia-zepin ring system and the attached benzene ring is 47.7 (1)°. In the crystal, pairs of N-H⋯O hydrogen bonds link inversion-related mol-ecules into dimers, generating R(2) (2)(8) ring motifs. These dimers are further connected into a chain along the a axis by C-H⋯O hydrogen bonds, resulting in R(2) (2)(14) ring motifs. The crystal packing also features C-H⋯π inter-actions.

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

Project description: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.

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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⋯π inter-actions.

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7-Bromo-3,3-dibutyl-8-meth-oxy-2,3-di-hydro-1,5-benzothia-zepin-4(5H)-one.

Project description:In the title compound C18H26BrNO2S, the thia-zepine ring adopts a boat conformation. The dihedral angle between the mean planes through the benzene ring and the four C atoms making up the basal plane of the boat is 35.8 (2)°. In the crystal, inversion dimers linked by pairs of N-H⋯O hydrogen bonds generate R 2 (2)(8) loops.

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