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2-Benzoyl-4-chloro-aniline thio-semi-carbazone.

ABSTRACT: In the title compound, C14H13ClN4S, obtained from a reaction of 2-benzoyl-4-chloro-aniline with thio-semicarbazide in ethanol, the dihedral angle between the aromatic rings is 81.31 (13)°. In the crystal, the mol-ecules are linked by three N-H⋯S hydrogen bonds, forming centrosymmetric rings with set-graph motif R 2 (2)(8) and R 2 (2)(18), and resulting in the formation of a two-dimensional network lying parallel to (010).

SUBMITTER: Bandeira KC

PROVIDER: S-EPMC4051094 | biostudies-literature |

REPOSITORIES: biostudies-literature

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Project description:The asymmetric unit of the title compound, C(8)H(9)N(3)O(2)S, contains three independent mol-ecules which are stacked approximately over each other. In the crystal structure, centrosymmetric pairs of mol-ecules are formed through inter-molecular hydr-oxy-hydr-oxy O-H?O and hydr-oxy-sulfur O-H?S hydrogen bonds which are, in turn, linked into a two-dimensional network by N-H?O(hydr-oxy) hydrogen bonds.

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Project description:The title compound, C(9)H(11)N(3)S, was prepared by reacting 4-methyl-benzaldehyde with thio-semicarbazide. An intra-molecular N-H⋯N hydrogen bond helps to establish the observed mol-ecular conformation. The crystal packing is realized by inter-molecular N-H⋯S hydrogen bonds.

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Project description:The title compound, C(9)H(11)N(3)OS, was prepared by the reaction of 3-methoxy-benzaldehyde and thio-semicarbazide. The benzyl-idene ring and the thio-semicarbazone fragment are slightly twisted, making a dihedral angle of 14.1 (1)°. A weak intra-molecular N-H⋯N hydrogen bond may influence the conformation of the mol-ecule. Inter-molecular N-H⋯S hydrogen bonds build up a three-dimensional network.

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Project description:The mol-ecules of the title compound, C(10)H(10)N(4)S, are linked by N-H(indole)?S hydrogen bonds to form a linear hydrogen-bonded chain. There are two independent mol-ecules in the asymmetric unit.

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Project description:The asymmetric unit of title compound, [Fe(C(5)H(5))(C(9)H(12)N(3)S)], contains two crystallographically independent mol-ecules, A and B. The two cyclo-penta-dienyl (Cp) rings are parallel to each other in both mol-ecules, forming dihedral angles of 2.3?(3) and 1.0?(3)°, respectively, and adopt an eclipsed conformation. The mean plane of the semicarbazone group is twisted slightly away from the attached Cp ring in both mol-ecules, the dihedral angles between the mean plane and the Cp ring being 15.3?(2) and 10.8?(2)°. The ethyl group in mol-ecule A is coplanar with the mean plane of the semicarbazone group [C-N-C-C torsion angle = -175.2?(4)°], whereas it is nearly perpendicular in mol-ecule B [C-N-C-C torsion angle = 84.8?(6)°]. In the crystal structure, inter-molecular N-H?S hydrogen bonds link the mol-ecules into dimers. These dimers are further linked into chains via inter-molecular C-H?S hydrogen bonds. The crystal studied was a non-merohedral twin with a refined ratio of the twin components of 0.265?(2):0.735?(2).

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