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1-(3-Bromo-phen-yl)thio-urea.

ABSTRACT: In the title compound, C(7)H(7)BrN(2)S, the thio-urea moiety is nearly planar (r.m.s. deviation = 0.004 Å) and it forms a dihedral angle of 66.72 (15)° with the benzene ring. The C-N-C-N2 torsion angle is 15.1 (4)°. In the crystal, mol-ecules are linked via N-H⋯S and N-H⋯N hydrogen bonds into sheets lying parallel to (101).

SUBMITTER: Fun HK

PROVIDER: S-EPMC3414918 | biostudies-literature |

REPOSITORIES: biostudies-literature

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N-(2-Bromo-phen-yl)thio-urea.

Project description:In the title compound, C(7)H(7)BrN(2)S, the thio-urea unit is almost perpendicular to the bromo-benzene fragment, making a dihedral angle of 80.82?(16)°. The crystal structure is stabilized by N-H?S inter-molecular hydrogen bonds, which form linear chains along the ab diagonal.

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1-(4-Bromo-phen-yl)-3-(2-thienylcarbon-yl)thio-urea.

Project description:The title compound, C(12)H(9)BrN(2)OS(2), consists of two planar parts, viz. the thio-phene ring including all substituents (r.m.s. deviation 0.007?Å) and the benzene ring including the respective substituents as well as the thione group (r.m.s. deviation 0.05?Å). The inter-planar angle is 18.84?(6)°. An intra-molecular C(phen-yl)-N-H?OC hydrogen bond is observed. The three-dimensional packing involves three types of inter-actions, viz. N-H?S, C-H?S (× 2) and Br?S [3.6924?(6)?Å].

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1-(2-Bromo-phen-yl)-3-(4-chloro-butano-yl)thio-urea.

Project description:The asymmetric unit of the title compound, C(11)H(12)BrClN(2)OS, consists of two crystallographically independent mol-ecules. In each mol-ecule, the butano-ylthio-urea unit is nearly planar, with maximum deviations of 0.1292?(19) and 0.3352?(18)?Å from the mean plane defined by nine non-H atoms, and is twisted relative to the terminal benzene ring with dihedral angles of 69.26?(7) and 82.41?(7)°. An intra-molecular N-H?O hydrogen bond generates an S(6) ring motif in each butano-ylthio-urea unit. In the crystal, N-H?O hydrogen bonds link the two independent mol-ecules together, forming an R(2) (2)(12) ring motif. The mol-ecules are further connected into a tape along the c axis via N-H?S and C-H?S hydrogen bonds.

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1-(4-Bromo-phen-yl)-1-(4-nitro-benzo-yl)thio-urea.

Project description:The title compound, C(14)H(10)BrN(3)O(3)S, crystallizes as two concomitant polymorphs that differ in colour (one yellow and one colourless). Only the structure of the colourless form could be determined. The mol-ecule exists in the thio-amide form with an intra-molecular N-H?O=C hydrogen bond across the thio-urea system. Mol-ecules are linked into layers parallel to (120) by Br?O(nitro) contacts [3.103?(1)?Å], classical hydrogen bonds from the other NH function to the S atom and N(nitro)?O=C contacts. The layers are linked by weak C-H?O(nitro) hydrogen bonds to produce the observed three-dimensional network.

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1-(2-Bromo-4-chloro-phen-yl)-3,3-di-methyl-thio-urea.

Project description:In the title compound, C9H10BrClN2S, the di-methyl-thio-urea group is twisted from the benzene ring plane by 54.38?(6)°. In the crystal, the amino groups are involved in the formation of N-H?S hydrogen bonds, which link the mol-ecules into chains along [010]. Weak C-H?Cl inter-actions further link these chains into layers parallel to the ab plane.

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1-(4-Bromo-phen-yl)-3-(3-chloro-propan-oyl)thio-urea.

Project description:The title compound, C10H10BrClN2OS, adopts a trans-cis conformation with respect to the position of the 3-chloro-propanoyl and 4-bromo-phenyl groups, respectively, against the thiono C=S bond across their C-N bonds. The benzene ring makes a dihedral angle of 9.55?(16)° with the N2CS thio-urea moiety. Intra-molecular N-H?O and C-H?S hydrogen bonds occur. In the crystal, mol-ecules are linked into chains along the c-axis direction by N-H?S, C-H?S and C-H?O hydrogen bonds.

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N-(4-Bromo-phen-yl)urea.

Project description:In the title compound, C(7)H(7)BrN(2)O, both the urea moiety [maximum deviation 0.003?(2)?Å] and the benzene ring are essentially planar [maximum deviation 0.003?(2)?Å] but are rotated with respect to each other by a dihedral angle of 47.8?(1)°. The crystal assembly is stabilized by N-H?O hydrogen bonds between all NH protons as conventional hydrogen bond donors and the C=O oxygen as a trifurcated hydrogen-bond acceptor. Both the overall mol-ecular geometry and the crystal packing of the title compound are very similar to those of N-phenyl-urea, which is underscored by a practically isostructural relationship between these two urea derivatives.

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4-Bromo-2-(5-bromo-thio-phen-2-yl)-1-[(5-bromo-thio-phen-2-yl)meth-yl]-5,6-dimethyl-1H-benzimidazole.

Project description:The title compound, C18H13Br3N2S2, was obtained via the reaction of N-bromo-succinamide with 5,6-dimethyl-2-(thio-phen-2-yl)-1-[(thio-phen-2-yl)meth-yl]-1H-benzimidazole. The compound exhibits rotational disorder of the 5-bromo-thio-phen-2-yl substituent with a refined major:minor occupancy ratio of 0.876 (7):0.124 (7). The 5-bromo-thio-phen-2-yl mean plane is canted to the benzimidazole plane by 20.0 (4) and 21 (4)° in the major and minor components, respectively. In the crystal, weak C-H⋯N inter-actions link the mol-ecules into infinite C(7) chains along the 21 axes.

| S-EPMC3998606 | biostudies-literature

1-(3-Chloro-phen-yl)thio-urea.

Project description:In the title compound, C(7)H(7)ClN(2)S, the thio-urea N-C(=S)-N plane forms a dihedral angle of 64.80?(6)° with the benzene ring. In the crystal, mol-ecules are linked via inter-molecular N-H?S and N-H?Cl hydrogen bonds into a sheet extending parallel to the (101) plane.

| S-EPMC3414341 | biostudies-literature

N-(3,4-Dichloro-phen-yl)thio-urea.

Project description:In the title compound, C(7)H(6)Cl(2)N(2)S, the benzene ring and the mean plane of the thio-urea fragment [-N-C(=S)-N] make a dihedral angle of 66.77?(3)°. Inter-molecular N-H?S and N-H?Cl hydrogen bonds link the mol-ecules into a three-dimensional network.

| S-EPMC2970483 | biostudies-literature

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