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

ABSTRACT: 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)°.

SUBMITTER: Cai M

PROVIDER: S-EPMC3200857 | biostudies-other | 2011 Sep

REPOSITORIES: biostudies-other

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

Cai Mingjian M Wang Xiuge X Sun Tao T

Acta crystallographica. Section E, Structure reports online 20110802 Pt 9

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)°. ...[more]

PMID: 22064527

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

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

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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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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, ?-? inter-actions between the benzene rings [centroid-centroid distance = 3.7465?(14)?Å] and X-Y?? 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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(Z)-2-Meth-oxy-N-[(5-nitro-thio-phen-2-yl)methyl-idene]aniline.

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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, ?-? 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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Crystal structure and Hirshfeld surface analysis of 2-methyl-3-nitro-<i>N</i>-[(<i>E</i>)-(5-nitro-thio-phen-2-yl)methyl-idene]aniline.

Project description:The title compound, C12H9N3O4S, synthesized by condensation of 5-nitro-thio-phene-2-carbaldehyde and 2-methyl-3-nitro-aniline, crystallizes in the ortho-rhom-bic space group P212121. In the mol-ecule, the aromatic benzene and thio-phene rings are twisted with respect to each other, making a dihedral angle of 23.16 (7)°. In the crystal, mol-ecules are linked by inter-molecular C-H⋯O hydrogen bonds into chains extending along the c-axis direction. Weak π-π stacking inter-actions along the a-axis direction provide additional stabilization of the crystal structure. The roles of the various inter-molecular inter-actions were clarified by Hirshfeld surface analysis, which reveals that the crystal packing is dominated by O⋯H (39%) and H⋯H (21.3%) contacts. The crystal studied was refined as a two-component inversion twin.

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

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