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N-Phenyl-pyrrolidine-1-carbothio-amide.

ABSTRACT: The title compound, C(11)H(14)N(2)S, was prepared by the reaction of 1-isothio-cyanato-benzene and pyrrolidine. In the crystal structure, inter-molecular N-H⋯S inter-actions are present.

SUBMITTER: Jiang JH

PROVIDER: S-EPMC2967966 | biostudies-literature |

REPOSITORIES: biostudies-literature

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N-Methyl-pyrrolidine-1-carbothio-amide.

Project description:There are two independent mol-ecules in the asymmetric unit of the title compound, C(6)H(12)N(2)S, in which the N-methyl-thio-formamide unit and the pyrrolidine ring mean plane are oriented at dihedral angles of 5.9?(5) and 5.9?(4)°. In the crystal, zigzag C(4) chains extending along the a axis are formed due to N-H?S hydrogen bonds between alternate arrangements of mol-ecules. The chains are inter-linked by C-H?S hydrogen bonds.

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N-Cyclo-hexyl-pyrrolidine-1-carbothio-amide.

Project description:In the title mol-ecule, C(11)H(20)N(2)S, the five-membered ring has an envelope conformation and the cyclo-hexane ring is in a chair conformation. The N-H group is not involved in any intra- or inter-molecular inter-actions.

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N-Phenyl-piperidine-1-carbothio-amide.

Project description:The title compound, C(12)H(16)N(2)S, was prepared by the reaction of with phenyl isothio-cyanate and piperidine. In the crystal structure, the mol-ecule exhibits inter-molecular N-H?S hydrogen bonds and weak intra-molecular C-H?S and C-H?N hydrogen-bonding inter-actions.

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2-Isonicotinoyl-N-phenyl-hydrazine-carbothio-amide dimethyl-formamide hemisolvate.

Project description:The title compound, C(13)H(12)N(4)OS·0.5C(3)H(7)NO, contains four hydrazine mol-ecules and two solvent mol-ecules in the asymmetric unit. The dihedral angles between the pyridine and phenyl rings in the hydrazine mol-ecules are 67.51?(16), 68.28?(16), 81.36?(15) and 83.32?(15)°. In the crystal, the mol-ecules are linked by N-H?N, N-H?O and N-H?S hydrogen bonds.

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4-Methoxy-benzene-carbothio-amide.

Project description:The asymmetric unit of the title compound, C(8)H(9)NOS, contains two independent mol-ecules with the meth-oxy groups oriented in opposite conformations. The mean planes of the carbothio-amide groups are tilted by 7.88?(15) and 11.16?(9)° from the mean planes of the benzene rings. In the crystal, the mol-ecules form dimers via intermolecular N-H?S inter-molecular hydrogen bonds, resulting in eight-membered rings of R(2) (2)(8) graph-set motif. The dimers are further linked by C-H?O hydrogen bonds into chains along the c axis. Adjacent chains inter-act through inter-molecular N-H?S hydrogen bonds, generating eight-membered rings of R(4) (2)(8) graph-set motif.

| S-EPMC2979506 | biostudies-literature

4-Methyl-benzene-carbothio-amide.

Project description:In the title mol-ecule, C(8)H(9)NS, the mean plane of the carbothio-amide group is twisted slightly with respect to the mean plane of the benzene ring, making a dihedral angle of 17.03?(10)°. The crystal structure is stabilized by inter-molecular N-H?S hydrogen bonds, resulting in the formation of eight-membered rings lying about inversion centers and representing R(2) (2)(8) and R(4) (2)(8) motifs. Futhermore, these hydrogen bonds build up chains parallel to the b axis.

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5-Hy-droxy-3-methyl-5-phenyl-4,5-di-hydro-1H-pyrazole-1-carbothio-amide.

Project description:In the title compound C(11)H(13)N(3)OS, the aromatic ring and the dihydro-pyrazole ring are oriented orthogonally with respect to each other, making a dihedral angle of 89.92?(9)°. An intra-molecular O-H?S hydrogen bond occurs. In the crystal, weak N-H?N and N-H?S hydrogen bonds link the mol-ecules into a columnar stack propagating along the b axis.

| S-EPMC3201317 | biostudies-literature

(1R,3S)-N-Benzhydryl-2-benzyl-6,7-dimeth-oxy-1-phenyl-1,2,3,4-tetra-hydro-isoquinoline-3-carbothio-amide.

Project description:The title compound, C(38)H(36)N(2)O(2)S, has a heterocyclic ring that assumes a half-chair conformation. The phenyl rings of neighbouring mol-ecules align forming alternating chains parallel to [100] within the crystal packing. The absolute stereochemistry of the crystal was confirmed to be R,S at the 1- and 3-positions, respectively, by proton NMR spectroscopy. A single intra-molecular N-H⋯N hydrogen bond is observed.

| S-EPMC3239074 | biostudies-literature

(Benzene-carbothio-amide-?S)-penta-carbonyl-tungsten(0).

Project description:The asymmetric unit of the title complex, [W(C(7)H(7)NS)(CO)(5)], comprises two independent mol-ecules. In each, the W atom is coordinated by five CO groups and the S atom of the benzencarbothioamide ligand in a distorted octa-hedral geometry. The crystal packing can be described as undulating layers of W(CO)(5) and benzene-carbothio-amide parallel to (001). In the crystal, components are linked via inter-molecular N-H?O and C-H?O hydrogen bonds to form a dimeric chains along the [010] direction. Intra-molecular N-H?C inter-actions are also observed.

| S-EPMC3100038 | biostudies-literature

4-Benzyl-N-methyl-piperazine-1-carbothio-amide.

Project description:The asymmetric unit in the title thio-urea derivative, C(13)H(19)N(3)S, comprises three independent mol-ecules (A, B and C). The thio-urea groups are superimposable for the three mol-ecules, but there are significant conformational differences. Mol-ecules A and B are approximate mirror images of each other, and mol-ecule C has an inter-mediate conformation. The dihedral angles between the thio-urea groups and the phenyl rings are 52.10?(5), 63.29?(5) and 66.46?(6)° in mol-ecules A, B and C, respectively. Each independent mol-ecule self-associates into a supra-molecular chain along [100] via N-H?S hydrogen bonds. Mol-ecules of A and B assemble into layers four mol-ecules thick in the ac plane via C-H?S and C-H?? inter-actions. Mol-ecules of C self-assemble into layers in the ac plane via C-H?S inter-actions. The layers stack along the b axis with no specific inter-actions between them.

| S-EPMC3295486 | biostudies-literature

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