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3-Chloro-4-[2-(4-chloro-benzyl-idene)hydrazinyl-idene]-1-methyl-3,4-dihydro-1H-2?(6),1-benzothia-zine-2,2-dione.

ABSTRACT: In the title compound, C16H13Cl2N3O2S, the dihedral angle between the aromatic rings is 6.62?(2)° and the C=N-N=C torsion angle is 176.2?(4)°. The thia-zine ring shows an envelope conformation, with the S atom displaced by 0.633?(6)?Å from the mean plane of the other five atoms (r.m.s. deviation = 0.037?Å). The Cl atom is an an axial conformation and is displaced by 2.015?(6)?Å from the thia-zine ring plane. In the crystal, mol-ecules are linked by C-H?O inter-actions, generating a three-dimensional network. Very weak aromatic ?-? stacking inter-actions [centroid-centroid separations = 3.928?(2)?Å] are also observed.

SUBMITTER: Ahmad S

PROVIDER: S-EPMC3588526 | biostudies-other | 2013 Mar

REPOSITORIES: biostudies-other

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3-Chloro-4-[2-(4-chloro-benzyl-idene)hydrazinyl-idene]-1-methyl-3,4-dihydro-1H-2λ(6),1-benzothia-zine-2,2-dione.

Ahmad Saeed S Shafiq Muhammad M Tahir M Nawaz MN Harrison William T A WT Khan Islam Ullah IU

Acta crystallographica. Section E, Structure reports online 20130223 Pt 3

In the title compound, C16H13Cl2N3O2S, the dihedral angle between the aromatic rings is 6.62 (2)° and the C=N-N=C torsion angle is 176.2 (4)°. The thia-zine ring shows an envelope conformation, with the S atom displaced by 0.633 (6) Å from the mean plane of the other five atoms (r.m.s. deviation = 0.037 Å). The Cl atom is an an axial conformation and is displaced by 2.015 (6) Å from the thia-zine ring plane. In the crystal, mol-ecules are linked by C-H⋯O inter-actions, generating a three-dimensi ...[more]

PMID: 23476596

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rac-(3S,4Z)-3-Chloro-4-[2-(3-fluoro-benzyl-idene)hydrazinyl-idene]-1-methyl-3,4-dihydro-1H-2?(6),1-benzothia-zine-2,2-dione.

Project description:In the title compound, C(16)H(13)ClFN(3)O(2)S, the dihedral angle between the benzene rings is 4.47?(3)°. The conformation of the thia-zine ring is a half-chair and the Cl atom is in an axial orientation. In the crystal, mol-ecules are linked by C-H?F inter-actions, generating C(12) chains propagating in [011]. Aromatic ?-? stacking inter-actions [centroid-centroid separations = 3.753?(2) and 3.758?(2)?Å] also occur.

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3-Chloro-1-methyl-4-[2-(3-phenyl-allyl-idene)hydrazinyl-idene]-3,4-dihydro-1H-2?(6),1-benzothia-zine-2,2-dione.

Project description:In the title compound, C(18)H(16)ClN(3)O(2)S, the dihedral angle between the aromatic rings is 4.81?(2)° and the alkyl chain takes on an extended conformation [N-C-C-C = 179.2?(4)°]. The conformation of the thia-zine ring is an envelope, with the S atom displaced by -0.805?(3)?Å from the mean plane of the other five atoms (r.m.s. deviation = 0.046?Å). The Cl atom is an axial conformation and is displaced by 1.761?(4)?Å from the thia-zine ring plane. In the crystal, inversion dimers linked by pairs of C-H?O inter-actions generate R(2) (2)(20) loops and further C-H?O hydrogen bonds link the dimers into (001) sheets. Weak aromatic ?-? stacking inter-actions [centroid-centroid separations = 3.870?(3) and 3.883?(3)?Å] are also observed.

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(3S,4Z)-3-Chloro-1-methyl-4-[(2E)-(3-methyl-benzyl-idene)hydrazinyl-idene]-3,4-dihydro-1H-2,1-benzothia-zine 2,2-dioxide.

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6-Bromo-1-methyl-4-[2-(1-phenyl-ethyl-idene)hydrazinyl-idene]-3,4-dihydro-1H-2?(6),1-benzothia-zine-2,2-dione.

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Project description:In the title compound, C(19)H(21)N(3)O(2)S, the dihedral angle between the aromatic rings is 6.7?(2)° and the C=N-N=C torsion angle is 178.0?(2)°. The conformation of the thia-zine ring is an envelope, with the S atom displaced by 0.802?(2)?Å from the mean plane of the other five atoms (r.m.s. deviation = 0.022?Å). In the crystal, mol-ecules are linked by C-H?O inter-actions, generating C(5) chains propagating in [010]. A weak C-H?? inter-action is also observed.

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Project description:In the title compound, C(17)H(16)BrN(3)O(2)S, the two fused rings are twisted by a dihedral angle of 6.61?(15)°. The thia-zine ring adopts a sofa conformation. The toluene ring is oriented at dihedral angles of 15.5?(2) and 20.6?(2)° with respect to the bromo-benzene and thia-zine rings, respectively. The benzyl-idene system is approximately planar [r.m.s. deviation = 0.0388?Å]. In the cyrstal, weak inter-molecular C-H?O hydrogen bonds connects the mol-ecules into a chain along the b axis.

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Project description:In the title compound, C(24)H(18)ClN(3)O(2)S, the dihedral angle between the benzene ring and the anthracene ring system is 41.10?(8)°. The thia-zine ring has a half-chair conformation and the Cl atom is in an axial orientation. In the crystal, mol-ecules are linked by C-H?O inter-actions, generating C(8) chains along [100]. A C-H?N short contact occurs in the mol-ecule, generating an S(6) ring.

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6-Bromo-4-[2-(4-fluoro-benzyl-idene)hydrazin-1-yl-idene]-1-methyl-3,4-dihydro-1H-2?(6),1-benzothia-zine-2,2-dione.

Project description:In the title compound, C(16)H(13)BrFN(3)O(2)S, the dihedral angle between the aromatic rings is 2.55?(19)° and the C=N-N=C torsion angle is 178.9?(3)°. The conformation of the thia-zine ring is an envelope, with the S atom displaced by -0.811?(3)?Å from the mean plane of the other five atoms (r.m.s. deviation = 0.042?Å). In the crystal, C-H?O inter-actions link the mol-ecules and weak aromatic ?-? stacking between the fluoro-benzene and bromo-benzene rings [centroid-centroid separation = 3.720?(2)?Å and inter-planar angle = 2.6?(2)°] is also observed.

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(4Z)-1-Methyl-4-[(2E)-2-(4-methyl-benzyl-idene)hydrazin-1-yl-idene]-3,4-dihydro-1H-2?(6),1-benzothia-zine-2,2-dione.

Project description:In the title compound, C(17)H(17)N(3)O(2)S, the dihedral angle between the aromatic rings is 6.3?(5)° and the C=N-N=C group is statistically planar [torsion angle = 179.8?(8)°]. The conformation of the thia-zine ring is an envelope, with the S atom displaced by 0.823?(9)?Å from the mean plane of the other five atoms (r.m.s. deviation = 0.012?Å). In the crystal, C-H?O inter-actions link the mol-ecules into C(5) chains propagating along [101]. The chains are consolidated by weak aromatic ?-? stacking between the benzene and toluene rings [centroid-to-centroid separation = 3.826?(5)?Å and inter-planar angle = 6.3?(4)°].

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6-Bromo-4-hydrazinyl-idene-1-methyl-3H-2?,1-benzothia-zine-2,2-dione.

Project description:In the title mol-ecule, C(9)H(10)BrN(3)O(2)S, the thia-zine ring has an envelope conformation with the S atom at the flap. The geometry around the S atom is distorted tetra-hedral. In the crystal, inversion dimers linked by pairs of N-H?N hydrogen bonds occur, generating R(2) (2)(6) ring motifs. N-H?O hydrogen bonds and C-H?O inter-actions connect the dimers, forming a three-dimentional network structure.

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