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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 mol-ecule of the title compound, C(9)H(8)N(4)S, adopts an E configuration about both the C=N and C-NH bonds. In the crystal structure, adjacent mol-ecules are linked by inter-molecular N-H?S hydrogen-bonding inter-actions, forming chains running parallel to the b axis.

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Ferrocene-1-carbaldehyde thio-semi-carbazone.

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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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4-Methyl-benzaldehyde thio-semi-carbazone.

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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1-(Thio-phen-2-yl)ethanone thio-semi-carbazone.

Project description:The title compound, C(7)H(9)N(3)S(2), crystallizes with two unique mol-ecules in the unit cell, both present as thio-semicarbazide tautomers. The mol-ecules differ principally in the dihedral angles between the thio-phene ring planes and the planes through the non-H atoms of the hydrazinecarbothio-amide units, viz. 9.80?(8)° for one mol-ecule and 19.37?(7)° for the other. The hydrazinecarbothio-amide units are reasonably planar, with r.m.s. deviations of 0.001Å for each of the mol-ecules. In the crystal, N-H?S hydrogen bonds link like mol-ecules into R(2) (2)(8) inversion dimers. A three-dimensional network structure is generated by additional N-H?S hydrogen bonds and weak C-H?S contacts between the unique mol-ecules.

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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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2-Acetyl-pyrazine 4-methyl-thio-semi-carbazone.

Project description:The title compound, C(8)H(11)N(5)S, has been prepared by the reaction of 2-acetyl-pyrazine with 4-methyl-3-thio-semi-carbazide. It exists in the thione form and adopts the E configuration. The mol-ecules are connected by the inter-molecular N-H?N and N-H?S inter-actions.

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