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1-(4-Chloro-phen-yl)-3-(2,4-dichloro-benzo-yl)thio-urea.

ABSTRACT: The title compound, C(14)H(9)Cl(3)N(2)OS, has bond lengths and angles which are quite typical for thio-urea compounds of this class. The mol-ecule exists in the solid state in its thione form with typical thio-urea C=S and C=O bond lengths, as well as shortened C-N bonds. An intra-molecular N-H?O hydrogen bond stabilizes the mol-ecular conformation. Inter-molecular N-H?S hydrogen bonds link the mol-ecules to form centrosymmetric dimers.

SUBMITTER: Khawar Rauf M

PROVIDER: S-EPMC2968241 | biostudies-literature | 2009 Jan

REPOSITORIES: biostudies-literature

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1-(4-Chloro-phen-yl)-3-(2,4-dichloro-benzo-yl)thio-urea.

Khawar Rauf M M Bolte Michael M Badshah Amin A

Acta crystallographica. Section E, Structure reports online 20090108 Pt 2

The title compound, C(14)H(9)Cl(3)N(2)OS, has bond lengths and angles which are quite typical for thio-urea compounds of this class. The mol-ecule exists in the solid state in its thione form with typical thio-urea C=S and C=O bond lengths, as well as shortened C-N bonds. An intra-molecular N-H⋯O hydrogen bond stabilizes the mol-ecular conformation. Inter-molecular N-H⋯S hydrogen bonds link the mol-ecules to form centrosymmetric dimers. ...[more]

PMID: 21581875

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1-(2,6-Dichloro-benzo-yl)-3-(2,3,5,6-tetra-chloro-phen-yl)thio-urea trichloro-methane hemisolvate.

Project description:The title compound, C(14)H(6)Cl(6)N(2)OS·0.5CHCl(3), crystallizes with four 1-(2,6-dichloro-benzo-yl)-3-(2,3,5,6-tetra-chloro-phen-yl)thio-urea mol-ecules and two trichloro-methane mol-ecules in the asymmetric unit. The thiourea molecules exist in the solid state in their thione forms with typical thio-urea C-S and C-O bonds lengths, as well as shortened C-N bonds. The -NH-C(=S)-NH-C(=O)- plane is almost perpen-dicular to the benzene ring in each thiourea molecule. Intra-molecular N-H?O hydrogen bonds stabilize the mol-ecular conformation and inter-molecular N-H?S hydrogen bonds stabilize the packing arrangement.

| S-EPMC2968195 | biostudies-literature

1-(3-Chloro-phen-yl)-3-(2,6-dichloro-benzo-yl)thio-urea.

Project description:The structure of the title compound, C(14)H(9)Cl(3)N(2)OS, is composed of discrete mol-ecules with bond lengths and angles quite typical for thio-urea compounds of this class. The plane containing the thio-carbonyl and carbonyl groups subtends dihedral angles of 48.19?(3) and 87.51?(3)° with the planes formed by the 3-chloro and 2,6-dichloro-phenyl rings, respectively; the dihedral angle between the two benzene ring planes is 45.32?(3)°. An intra-molecular N-H?O hydrogen bond stabilizes the mol-ecular conformation and the mol-ecules form inter-molecular N-H?S and N-H?O hydrogen bonds, generating a sheet along the a axis.

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1-(2,6-Dichloro-benzo-yl)-3-(3-methoxy-phen-yl)thio-urea.

Project description:The two aromatic rings in the title compound, C(15)H(12)Cl(2)N(2)O(2)S, enclose a dihedral angle of 37.49?(6)°. The mol-ecule exists in the solid state in its thione form with typical thio-urea C-S and C-O bonds lengths, as well as shortened C-N bonds. An intra-molecular N-H?O hydrogen bond stabilizes the mol-ecular conformation. In the crystal, mol-ecules are connected by N-H?O and N-H?S hydrogen bonds, forming chains running along the a axis.

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Project description:The title mol-ecule, C(16)H(15)ClN(2)OS, exists in the solid state in its thione form with typical thio-urea C-S and C-O bonds lengths, as well as shortened C-N bonds. An intra-molecular N-H?O hydrogen bond stabilizes the mol-ecular conformation and inter-molecular N-H?S hydrogen bonds link the mol-ecules into centrosymmetric dimers. The dihedral angle between the aromatic rings is 50.18?(5)°.

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1-(2-Chloro-benzo-yl)-3-(2,3-dimethyl-phen-yl)thio-urea.

Project description:The dihedral angle between the two phenyl groups in the title compound, C16H15ClN2OS, is 14.88?(4)°. An intra-molecular N-H?O hydrogen bond occurs. In the crystal, pairs of N-H?S hydrogen bonds link the mol-ecules into centrosymmetric dimers.

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Project description:In the title compound, C(14)H(10)ClFN(2)OS, the mol-ecule adopts a trans-cis geometry of the thio-urea unit. The dihedral angles between the benzene rings is 34.47 (7)°. The crystal packing features inter-molecular N-H⋯S and C-H⋯O hydrogen bonds, forming a chain along the b axis. A short C-H⋯S intramolecular contact is also observed.

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1-Benzoyl-3-(4-chloro-phen-yl)thio-urea dichloro-methane hemisolvate.

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1-(2-Chloro-benzo-yl)-3-(2-trifluoro-methyl-phen-yl)thio-urea.

Project description:The dihedral angle between the benzene rings in the title compound, C15H10ClF3N2OS, is 54.02?(4)°. An intra-molecular N-H?O hydrogen bond occurs. In the crystal, N-H?S hydrogen bonds link the mol-ecules into inversion dimers.

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1-(2-Chloro-benzo-yl)-3-(3-meth-oxy-phen-yl)thio-urea.

Project description:The title compound, C15H13ClN2O2S, exists in the solid state in its thione form with typical thio-urea C-S and C-O bonds lengths as well as shortened C-N bonds. An intra-molecular N-H?O hydrogen bond stabilizes the mol-ecular conformation. In the crystal, N-H?S hydrogen bonds link the mol-ecules into centrosymmetric dimers.

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1-(4-Chloro-benzo-yl)-3-(2,4,6-trichloro-phen-yl)thio-urea hemihydrate.

Project description:The asymmetric unit of the title compound, C(14)H(8)Cl(4)N(2)OS·0.5H(2)O, contains two independent mol-ecules with different conformations with respect to the aromatic ring planes, and one water mol-ecule. The bond lengths and angles are typical of thio-urea compounds of this class. The mol-ecule exists in the solid state in its thione form with typical thio-urea C-S and C-O bonds lengths, as well as shortened C-N bonds. The dihedral angles between the two aromatic planes are 66.93?(8) and 60.44?(9)° in the two independent mol-ecules. An intra-molecular N-H?O hydrogen bond stabilizes the mol-ecular conformation and the crystal packing is characterized by N-H?O, O-H?S and O-H?Cl hydrogen bonds.

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