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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.

ABSTRACT: 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)°].

PROVIDER: S-EPMC3470338 | BioStudies |

REPOSITORIES: biostudies

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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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Crystal structure of 2-{[(5-nitro-thio-phen-2-yl)methyl-idene]amino}-phenol.

Project description:The title compound, C11H8N2O3S, is roughly planar; the di-hedral angle between the planes of the thio-phene and benzene rings is 8.38?(10)°. An intra-molecular O-H?N hydrogen bond generates an S(5) ring motif. In the crystal, mol-ecules are linked into centrosymmetric dimers by pairs of O-H?O hydrogen bonds with an R 2 (2)(22) graph-set motif. Aromatic ?-? stacking inter-actions [centroid-centroid sep-ar-ations = 3.653?(3) and 3.852?(3)?Å] link the dimers into a three-dimensional network.

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3-(3-Chloro-phenyl-sulfin-yl)-2,5,7-trimethyl-1-benzofuran.

Project description:In the title compound, C(17)H(15)ClO(2)S, the 3-chloro-phenyl ring makes a dihedral angle of 84.48 (4)° with the mean plane [r.m.s. deviation = 0.004 (1) Å] of the benzofuran fragment. In the crystal, mol-ecules are linked by weak C-H⋯O, C-H⋯π and C-S⋯π [3.414 (2) Å] inter-actions. The crystal structure also exhibits weak π-π inter-actions between the furan rings of neighbouring mol-ecules [centroid-centroid distance = 3.826 (2), inter-planar distance = 3.447 (2) and slippage = 1.660 (2) Å].

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Methyl 6-chloro-nicotinate.

Project description:The mol-ecule of the title compound, C(7)H(6)ClNO(2), is almost planar, with a dihedral angle of 3.34?(14)° between the COOMe group and the aromatic ring. In the crystal, the mol-ecules are arranged into (1[Formula: see text]2) layers by C-H?N hydrogen bonds and there are ?-? stacking inter-actions between the aromatic rings in adjacent layers [centroid-centroid distance 3.8721?(4)?Å].

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N-(9H-Fluoren-9-yl-idene)-4-methyl-aniline.

Project description:In the title compound, C(20)H(15)N, the fluorene unit is essentially planar [r.m.s. deviation 0.0334?Å] and the benzene ring bound to the imine N atom bears a methyl group which is nearly coplanar [dihedral angle 0.5?(1)°]. The dihedral angle between the substituent benzene ring and the 9H-fluoren-9-imine unit is 71.1?(3)°. Inter-molecular ?-? inter-actions between the benzene rings of adjacent fluorene units [centroid-centroid distance 3.8081?(13)?Å] are present in the crystal structure, resulting in a one-dimensional supra-molecular architecture.

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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.

Project description: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.

2013-01-01 | S-EPMC3588526 | BioStudies

2-{2-[(E)-(2-Benzoyl-hydrazin-1-yl-idene)meth-yl]phen-oxy}acetic acid.

Project description:In the title compound, C(16)H(14)N(2)O(4), the dihedral angle between the aromatic rings is 12.45?(6)°. The central C(=O)-N-N=C bridge is roughly planar (r.m.s. deviation = 0.0346?Å) and makes dihedral angles of 13.01?(7) and 0.56?(7)° with the attached phenyl and benzene rings, respectively. The acetic acid unit (r.m.s. deviation = 0.0066?Å) is twisted from its attached benzene ring [dihedral angle = 19.48?(6)°]. In the crystal, mol-ecules are linked by O-H?(O,N), N-H?O and C-H?O hydrogen bonds into sheets lying parallel to the bc plane. A weak aromatic ?-? stacking inter-action is also observed [centroid-centroid distance = 3.7330?(7)?Å].

| S-EPMC3394044 | BioStudies

Crystal structure of N'-[(E)-3,5-di-chloro-2-hy-droxy-benzyl-idene]-4-nitro-benzo-hydrazide di-methyl-formamide monosolvate.

Project description:In the title compound, C14H9Cl2N3O4·C3H7NO, the hydrazone mol-ecule adopts an E conformation with respect to azomethine bond, and the dihedral angle between the two aromatic rings [8.96?(11)°] shows that the rings are almost co-planar. The planar conformation of the mol-ecule is stabilized by the intra-molecular O-H?N hydrogen bond involving the OH group and azomethine N atom. The azomethine and keto bond distances [1.269?(2) and 1.210?(2)?Å, respectively] are very close to the formal C=N and C=O bond lengths. The di-methyl-formamide solvent mol-ecule is connected to the hydrazone NH group via an N-H?O hydrogen bond. In the crystal, non-classical C-H?O and C-H?Cl hydrogen bonds link the mol-ecules into chains along [322]. A supra-molecular three-dimensional architecture is created by weak C-Cl?? [4.163?(3)?Å, 83.26?(9)°] and ?-? [centroid-centroid distance = 4.0395?(14)?Å] inter-actions.

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

Project description:In the title compound, C(16)H(13)BrN(4)O(4)S, the dihedral angle between the aromatic rings is 4.1?(2)° and the C=N-N=C torsion angle is 175.5?(3)°. The nitro group is almost coplanar with the benzene ring to which it is attached [dihedral angle = 2.9?(7)°]. The thia-zine ring has an S-envelope conformation with the S atom displaced by 0.819?(3)?Å from the mean plane of the other five atoms (r.m.s. deviation = 0.017?Å). In the crystal, C-H?O inter-actions link the mol-ecules and weak aromatic ?-? stacking [centroid-centroid separation = 3.874?(2)?Å] is also observed.

2012-01-01 | S-EPMC3435732 | BioStudies

1,2-Bis[(1,3-benzodioxol-5-yl)methyl-idene]hydrazine.

Project description:The complete mol-ecule of the title compound, C(16)H(12)N(2)O(4), is generated by the application of a centre of inversion. The (1,3-benzodioxol-5-yl)methyl-idene fused-ring system is approximately planar (r.m.s. deviation = 0.020?Å) and is essentially coplanar with the central hydrazine group [dihedral angle = 5.08?(9)°]. Weak ?-? inter-molecular inter-actions are observed [centroid-centroid distance = 3.8553?(8)?Å], providing some packing stability.

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