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1-(4-Chloro-butano-yl)-3-(2-nitro-phen-yl)thio-urea.

ABSTRACT: The asymmetric unit of the title compound, C(11)H(12)ClN(3)O(3)S, contains two independent mol-ecules with different conformations in which the benzene ring and the thio-urea fragment form dihedral angles of 87.28?(12) and 66.44?(10)°. The O atom of the thio-amide group is involved in bifurcated N-H?O intra- and inter-molecular hydrogen bonding; the latter inter-action links the independent mol-ecules into a dimer. In the crystal, N-H?S inter-actions link the mol-ecules into chains propagating along the c axis.

SUBMITTER: Ngah N

PROVIDER: S-EPMC3379376 | biostudies-literature | 2012 Jun

REPOSITORIES: biostudies-literature

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1-(4-Chloro-butano-yl)-3-(2-nitro-phen-yl)thio-urea.

Ngah Nurziana N Kadir Maisara M Yamin Bohari M BM Yusof M Sukeri M MS

Acta crystallographica. Section E, Structure reports online 20120519 Pt 6

The asymmetric unit of the title compound, C(11)H(12)ClN(3)O(3)S, contains two independent mol-ecules with different conformations in which the benzene ring and the thio-urea fragment form dihedral angles of 87.28 (12) and 66.44 (10)°. The O atom of the thio-amide group is involved in bifurcated N-H⋯O intra- and inter-molecular hydrogen bonding; the latter inter-action links the independent mol-ecules into a dimer. In the crystal, N-H⋯S inter-actions link the mol-ecules into chains propagating a ...[more]

PMID: 22719574

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

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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.

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1-(3-Chloro-phen-yl)-3-(4-nitro-phen-yl)urea.

Project description:In the title compound, C(13)H(10)ClN(3)O(3), prepared by the reaction of 1-chloro-3-isocyanato-benzene with 4-nitro-benzenamine, the two substituent benzene rings are roughly coplanar [inter-ring dihedral angle = 8.70?(7)°]. In the crystal, mol-ecules make cyclic inter-molecular associations through two urea-nitro N-H?O hydrogen bonds, forming a chain structure [give chain direction] in which there are also weak inter-molecular C-H?Cl inter-actions. The urea O atom has only intra-molecular aromatic ring C-H?O associations.

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1-(2-Nitro-phen-yl)-3-phenyl-thio-urea.

Project description:The title compound, C(13)H(11)N(3)O(2)S, was prepared by reaction of 2-nitro-benzenamine, KOH and 1-isothio-cyanato-benzene in an ethanol solution at room temperature. The dihedral angles formed between the thiourea plane and the phenyl rings are 61.9 and 31.0°. The dihedral angle between the two phenyl rings is 78.1°. In the crystal structure, there are weak inter-molecular N-H⋯S and C-H⋯S hydrogen-bonding inter-actions.

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