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(E)-4-Methyl-N-[(5-nitro-thio-phen-2-yl)methyl-idene]aniline.

ABSTRACT: In the crystal structure of the title compound, C(12)H(10)N(2)O(2)S, the benzene and the 2-nitro-thio-phene rings make a dihedral angle of 7.47 (12)°. The dihedral angle between the nitro group and the attached ring is 1.9 (6)°.

SUBMITTER: Ceylan U

PROVIDER: S-EPMC3393928 | biostudies-literature | 2012 Jul

REPOSITORIES: biostudies-literature

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(E)-4-Methyl-N-[(5-nitro-thio-phen-2-yl)methyl-idene]aniline.

Ceylan Umit U Gümüş Sümeyye S Ağar Erbil E Soylu Mustafa Serkan MS

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

In the crystal structure of the title compound, C(12)H(10)N(2)O(2)S, the benzene and the 2-nitro-thio-phene rings make a dihedral angle of 7.47 (12)°. The dihedral angle between the nitro group and the attached ring is 1.9 (6)°. ...[more]

PMID: 22798793

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4-Methyl-N-[(5-nitro-thio-phen-2-yl)methyl-idene]aniline.

Project description:The title compound, C(12)H(10)N(2)O(2)S, is a Schiff base formed from p-toluidine and 5-nitro-thio-phene-2-carbaldehyde. The C=N bond adopts an E configuration. The benzene and thio-phene rings form a dihedral angle of 9.2 (1)°.

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4-Nitro-N-[(E)-thio-phen-2-yl-methyl-idene]aniline.

Project description:In the title compound, C(11)H(8)N(2)O(2)S, there is a twist in the mol-ecule, with the dihedral angle between the five- and six-membered rings being 31.77 (9)°. The nitro group is slightly twisted out of the plane of the benzene ring to which it is attached [O-N-C-C torsion angle = 9.0 (3)°]. The S and N atoms are syn. In the crystal, supra-molecular layers parallel to (-204) are formed by C-H⋯O and C-H⋯N inter-actions. These layers are connected into a three-dimensional architecture by π-π inter-actions occurring between centrosymmetrically related benzene rings [centroid-centroid distance = 3.6020 (11) Å].

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2-Ethyl-N-[(5-nitro-thio-phen-2-yl)methyl-idene]aniline.

Project description:In the title compound, C(13)H(12)N(2)O(2)S, the dihedral angle between the benzene and thio-phene rings is 36.72 (8)°. An inter-molecular C-H⋯π inter-action contributes to the stability of the crystal structure.

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2-Amino-5-nitro-N-[(E)-thio-phen-2-yl-methyl-idene]aniline.

Project description:In the title mol-ecule, C(11)H(9)N(3)O(2)S, the thio-phene and benzene rings form a dihedral angle of 17.68 (9)°. The thio-phene S atom and the imine N atom are syn with respect to each other. In the crystal, N-H⋯O and N-H⋯N hydrogen bonds connect mol-ecules, forming a two-dimensional network parallel to (10-1).

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(Z)-3-Meth-oxy-N-[(5-nitro-thio-phen-2-yl)methyl-idene]aniline.

Project description:In the title compound, C(12)H(10)N(2)O(3)S, the dihedral angle between the benzene and thio-phene rings is 43.17 (4)°. The crystal structure is devoid of any hydrogen-bonding inter-actions. However, π-π inter-actions between the benzene and thio-phene rings [distance between ring centroids = 3.6850 (11) Å] stack the mol-ecules along the a axis. The absolute structure could not be determined as the crystal studied was a racemic twin with a BASF parameter of 0.31 (6).

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(Z)-2-Meth-oxy-N-[(5-nitro-thio-phen-2-yl)methyl-idene]aniline.

Project description:The dihedral angle between the benzene and thio-phene rings in the title compound, C(12)H(10)N(2)O(3)S, is 27.94 (13)°. An inter-molecular C-H⋯π inter-action contributes to the stability of the crystal structure.

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4-Meth-oxy-N-[(E)-(5-nitro-thio-phen-2-yl)methyl-idene]aniline.

Project description:The title mol-ecule, C(12)H(10)N(2)O(3)S, is nonplanar with an inter-planar angle of 33.44 (7)° between the benzene and thio-phene rings. In the crystal there exist only weak inter-molecular C-H⋯O inter-actions, π-π inter-actions between the benzene rings [centroid-centroid distance = 3.7465 (14) Å] and X-Y⋯π inter-actions to the thio-phene and benzene rings [N⋯centroid distances = 3.718 (3) and 3.355 (3) Å, respectively]. Inter-molecular C-H⋯O inter-actions link the mol-ecules into chains parallel to the a axis.

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3-Chloro-4-(4-chloro-phen-oxy)-N-[(Z)-(5-nitro-thio-phen-2-yl)methyl-idene]aniline.

Project description:In the title compound, C(17)H(10)Cl(2)N(2)O(3)S, the thio-phene ring and the central benzene ring are almost coplanar [dihedral angle = 8.44 (3)°], while the dihedral angle between the two benzene rings rings is 77.49 (9)°. The crystal packing is stabilized by inter-molecular C-H⋯O hydrogen bonds.

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2-Methyl-3-nitro-N-{(E)-[5-(4-nitro-phen-yl)furan-2-yl]methyl-idene}aniline.

Project description:In the title Schiff-base type compound, C(18)H(13)N(3)O(5), the central furan ring makes dihedral angles of 12.80?(7) and 51.43?(4)° with the terminal benzene rings. The dihedral angle between the benzene rings is 45.43?(3)°. In the crystal, C-H?O hydrogen bonds link the mol-ecules into layers parallel to (010). In addition, there are ?-? stacking inter-actions within the layer [centroid-centroid distance = 3.584?(1)?Å] and between the layers [centroid-centroid distance 3.751?(1)?Å].

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Crystal structure and computational study of 2,4-di-chloro-N-[(E)-(5-nitro-thio-phen-2-yl)methyl-idene]aniline.

Project description:The title compound, C11H6Cl2N2O2S, is a Schiff base that incorporates an N-bound 2,4-di-chloro-phenyl and a C-bound 5-nitro-thio-phene ring. The mol-ecule is approximately planar, the maximum deviation from the mean plane being 0.233 (4) Å for the C=N N atom. The dihedral angle between the benzene and thio-phene rings is 9.7 (2)°. The C=N double bond has an E configuration. The crystal structure features C-H⋯O hydrogen bonds,forming sheets parallel to (10-1), and π-π stacking inter-actions between symmetry-related thio-phene and benzene rings, in which the distance between adjacent ring centroids is 3.707 (4) Å, forming a three-dimensional supramolecular structure. Geometric parameters from quantum-chemical calculations are in good agreement with experimental X-ray diffraction results.

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