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N'-[(1E)-(4-Fluoro-phen-yl)methyl-idene]thio-phene-2-carbohydrazide.

ABSTRACT: In the title compound, C(12)H(9)FN(2)OS, the thienyl ring is disordered over two positions, with the S atom of the major component [occupancy = 87.08?(16)°] oriented towards the ortho-H atom of the benzene ring. The mol-ecule is nearly planar, the dihedral angle between the thio-phene and benzene rings being 13.0?(2)° in the major component. The azomethine C=N double bond in the mol-ecule is of an E configuration. In the crystal, mol-ecules are linked by pairs of N-H?O hydrogen bonds, forming inversion dimers.

SUBMITTER: Alanazi AM

PROVIDER: S-EPMC3275004 | biostudies-literature | 2012 Feb

REPOSITORIES: biostudies-literature

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N'-[(1E)-(4-Fluoro-phen-yl)methyl-idene]thio-phene-2-carbohydrazide.

Alanazi Amer M AM Lahsasni Siham S El-Emam Ali A AA Ng Seik Weng SW

Acta crystallographica. Section E, Structure reports online 20120111 Pt 2

In the title compound, C(12)H(9)FN(2)OS, the thienyl ring is disordered over two positions, with the S atom of the major component [occupancy = 87.08 (16)°] oriented towards the ortho-H atom of the benzene ring. The mol-ecule is nearly planar, the dihedral angle between the thio-phene and benzene rings being 13.0 (2)° in the major component. The azomethine C=N double bond in the mol-ecule is of an E configuration. In the crystal, mol-ecules are linked by pairs of N-H⋯O hydrogen bonds, forming in ...[more]

PMID: 22346949

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N'-[(1E)-(2,6-Difluoro-phen-yl)methyl-idene]thio-phene-2-carbohydrazide.

Project description:In the title compound, C(12)H(8)F(2)N(2)OS, the thienyl ring is disordered over two positions, with the S atom of the major component [occupancy = 75.03?(18)%] oriented away from an ortho-F atom of the benzene ring. The mol-ecule is nearly planar, the dihedral angle between the thio-phene and benzene rings being 6.19?(18) (in the major component) or 3.5?(6)° (in the minor component). The azomethine C=N double-bond in the mol-ecule is of an E configuration. In the crystal, mol-ecules are linked by pairs of N-H?O hydrogen bonds, generating inversion dimers.

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Project description:The title compound, C14H12FN3O, adopts an E conformation with respect to the azomethine double bond whereas the N and methyl C atoms are in a Z conformation with respect to the same bond. The ketonic O and azomethine N atoms are cis to each other. The non-planar mol-ecule [the dihedral angle between the benzene rings is 7.44?(11)°] exists in an amido form with a C=O bond length of 1.221?(2)?Å. In the crystal, a bifurcated N-H?(O,N) hydrogen bond is formed between the amide H atom and the keto O and imine N atoms of an adjacent mol-ecule, leading to the formation of chains propagating along the b-axis direction. Through a 180° rotation of the fluoro-phenyl ring, the F atom is disordered over two sites with an occupancy ratio of 0.632?(4):0.368?(4).

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Project description:In the title compound, C(13)H(12)N(2)OS, the dihedral angle between the aromatic rings is 14.84?(17)°. In the crystal, inversion dimers linked by pairs of N-H?O hydrogen bonds generate R(2) (2)(8) loops.

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N'-(Adamantan-2-yl-idene)thio-phene-2-carbohydrazide.

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Project description:The title compound, C12H8ClFN2OS, is a hydrazide derivative adopting an E conformation with an azomethine N=C double bond length of 1.272?(2)?Å. The mol-ecular skeleton is approximately planar; the terminal five- and six-membered rings form a dihedral angle of 5.47?(9)°. In the crystal, mol-ecules are linked by N-H?O and C-H?O hydrogen bonds into zigzag chains propagating in [100].

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Project description:In the title compound, C(12)H(10)N(2)OS, the dihedral angle between the phenyl and thio-phene rings is 10.2?(3)°. In the crystal, inversion dimers linked by pairs of N-H?O hydrogen bonds generate R(2) (2)(8) loops.

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Project description:In the title compound, C(14)H(12)BrClN(4)OS, the thienyl ring is disordered over two orientations with a site-occupancy ratio of 0.853?(2):0.147?(2). The mol-ecule is roughly planar, with the dihedral angles between the thienyl and benzene rings being 6.24?(16) and 9.7?(11)° for the major and minor components, respectively. The central fragment is almost planar [r.m.s. deviation = 0.0275?(2)?Å for the ten non-H atoms]. The mean plane through this middle unit makes a dihedral angle of 2.71?(7)° with the benzene ring, whereas these values are 4.46?(15) and 7.7?(11)° for the major and minor components of the thienyl ring, respectively. In the crystal, mol-ecules are linked into dimers by pairs of N-H?O hydrogen bonds, forming R(2) (2)(8) ring motifs. These dimers are arranged into sheets parallel to the ac plane.

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Project description:The title compound, C20H16F4N2S2, is a flexible bis-thio-phene-type Schiff base ligand with a perfluorinated backbone. The terminal thio-phene rings are almost normal to one another with a dihedral angle of 83.8?(2)°, and they are tilted to the central tetra-fluorinated benzene ring with dihedral angles of 61.2?(2) and 77.7?(1)°. In the crystal, there are ?-? inter-actions involving the benzene ring and the thiophene ring of a symmetry-related molecule with a centroid-centroid separation of 3.699?(3)?Å.

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