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

ABSTRACT: 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.

SUBMITTER: Rauf MK

PROVIDER: S-EPMC3589055 | biostudies-literature | 2012 Dec

REPOSITORIES: biostudies-literature

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

Rauf M Khawar MK Ebihara Masahiro M Badshah Amin A

Acta crystallographica. Section E, Structure reports online 20121130 Pt 12

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. ...[more]

PMID: 23476291

Similar Datasets

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

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)°.

| S-EPMC2968148 | biostudies-literature

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

Project description:In the crystal structure of the title compound, C(11)H(14)N(2)OS, the conformation of the two N-H bonds is anti. The conformation of the C=S and the C=O bonds is also anti. Furthermore, the N-H bond adjacent to the benzene ring is anti to the ortho- and meta-methyl groups. The dihedral angle between the benzene ring and the side chain [N-C(= S)-N-C(=O)-C; maximum deviation = 0.047 (4) Å] is 81.33 (10)°. The NH hydrogen adjacent to the benzene ring and the amide O atom exhibit bifurcated intra- and inter-molecular hydrogen bonding. In the crystal, mol-ecules form inversion dimers, which are linked into chains via R(2) (2)(12) and R(2) (2)(8) networks.

| S-EPMC3393991 | biostudies-literature

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

Project description: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.

| S-EPMC2968241 | biostudies-literature

N-(4-Chloro-benzo-yl)-N'-(3-fluoro-phen-yl)thio-urea.

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.

| S-EPMC3007896 | biostudies-literature

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.

| S-EPMC3588247 | biostudies-literature

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.

| S-EPMC3588307 | biostudies-literature

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.

| S-EPMC2968059 | 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

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

N-(3-Chloro-4-eth-oxy-benzo-yl)-N'-(2-meth-oxy-phen-yl)thio-urea.

Project description:In the title compound, C(17)H(17)ClN(2)O(3)S, the central carbonyl-thio-urea unit is nearly planar [maximum atomic deviation = 0.019 (3) Å] and makes dihedral angles of 2.47 (7) and 17.76 (6)° with the terminal benzene rings. An intra-molecular N-H⋯O hydrogen bond occurs. Weak inter-molecular C-H⋯S and C-H⋯Cl hydrogen bonding is observed in the crystal structure.

| S-EPMC3051694 | biostudies-literature

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