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1-(2-Methyl-benzo-yl)-3-m-tolyl-thio-urea.

ABSTRACT: The molecule of the title compound, C(16)H(16)N(2)OS, is not planar; the two aromatic rings are inclined to one another by 37.59?(9)°. There are intra-molecular hydrogen bonds between the benzoyl O atom and the H atom of the thio-amide N atom, and between the thio-urea S atom and the H atom of the tolyl group. These hydrogen bonds stabilize the mol-ecule in such a way that the thio-urea group adopts a trans-cis geometry. In the crystal structure, mol-ecules are linked by N-H?S inter-molecular hydrogen bonds, forming centrosymmetric dimers.

SUBMITTER: Yamin BM

PROVIDER: S-EPMC2961788 | biostudies-literature |

REPOSITORIES: biostudies-literature

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1-(4-Methyl-benzo-yl)-3-{2-[3-(4-methyl-benzo-yl)thio-ureido]phen-yl}thio-urea.

Project description:In the title compound, C(24)H(22)N(4)O(2)S(2), the dihedral angles formed by the thio-ureido groups with the attached benzene ring are 43.81?(13) and 75.25?(13)°. The dihedral angle between the thio-ureido groups is 85.48?(10)°. The mol-ecule is stabilized by intra-molecular N-H?S, N-H?O and C-H?S hydrogen bonds. In the crystal, molecules are linked by intermolecular N-H?S hydrogen bonds together with C-H?? inter-actions.

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N-(3-Methyl-phen-yl)-N'-(4-nitro-benzo-yl)thio-urea.

Project description:Two mol-ecules of the title compound, C(15)H(13)N(3)O(3)S, are linked by an inter-molecular N-H?S hydrogen bond. There is also an intra-molecular N-H?O hydrogen bond, forming a six-membered ring. The steric restriction of the m-methyl and p-nitro groups, as well as the intra-molecular hydrogen bond, are the main factors influencing the mol-ecular conformation.

| S-EPMC2959244 | biostudies-literature

1-Ethyl-1-methyl-3-(2-nitro-benzo-yl)thio-urea.

Project description:In the title compound, C(11)H(13)N(3)O(3)S, the benzene ring is twisted relative to the amidic fragment, forming a dihedral angle of 27.26?(9)°. The thiono and carbonyl groups are trans with respect to the C-N bond. Inter-molecular N-H?S and C-H?O hydrogen bonds link the mol-ecules in the crystal structure.

| S-EPMC3152072 | 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-(4-Chloro-benzo-yl)-3-(3-methyl-pyridin-2-yl)thio-urea.

Project description:The mol-ecule of the title compound, C(14)H(12)ClN(3)OS, consists of three approximately planar fragments: the central thio-urea group, the chloro-phenyl group and the picolyl (3-methyl-pyridin-2-yl) group with a maximum of 0.035 (2)° for an N atom from the mean square plane of the central thiourea group. The central fragment forms dihedral angles of 33.30 (8) and 76.78 (8)° with the chloro-phenyl and picolyl groups, respectively. With respect to the thio-urea C-N bonds, the 4-chloro-benzoyl group is positioned trans to the thiono S atoms, whereas the picolyl group lies in a cis position to it. The mol-ecular conformation is stabilized by an intra-molecular N-H⋯O hydrogen bond. In the crystal, mol-ecules are linked by inter-molecular C-H⋯N hydrogen bonds, forming chains along the a axis.

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1-(3,5-Dinitro-benzo-yl)-3,3-dipropyl-thio-urea.

Project description:The title thio-urea derivative, C(14)H(18)N(4)O(5)S, features two substantial twists between its component fragments: the dihedral angle between the SN(2)C (thio-urea) and ONC(2) (amide) residues is 48.89?(7)° and that between the benzene ring and the amide residue is 30.27?(7)°. In the crystal, mol-ecules are linked by bifurcated N-H?(O,S) hydrogen bonds, generating [001] supra-molecular chains.

| S-EPMC3089134 | biostudies-literature

1,1-Dibenzyl-3-(4-fluoro-benzo-yl)thio-urea.

Project description:In the title compound, C(22)H(19)FN(2)OS, the 2-fluoro-benzoyl group adopts a trans conformation with respect to the thiono S atom across the N-C bond. In the crystal, inter-molecular N-H?S, C-H?S and C-H?O hydrogen bonds link the mol-ecules, forming a two-dimensional network parallel to (101).

| S-EPMC3213443 | biostudies-literature

1-(2-Chloro-benzo-yl)-3-(pyrimidin-2-yl)thio-urea.

Project description:In the title compound, C12H9ClN4OS, the carbonyl group is at a cis position with respect to the thio-urea unit. The dihedral angle between the phenyl and pyrimidine ring is 16.49?(6)°. An intra-molecular N-H?N hydrogen bond stabilizes the mol-ec-ular conformation. In the crystal, N-H?N, C-H?O and C-H?S hydrogen bonds generate chains along the bc axis.

| S-EPMC3588338 | biostudies-literature

N-(2-Chloro-benzo-yl)-N'-(3-pyrid-yl)thio-urea.

Project description:In the mol-ecule of the title compound, C(13)H(10)ClN(3)OS, the dihedral angles between the plane through the thio-urea group and the pyridine and benzene rings are 53.08 (3) and 87.12 (3)°, respectively. The mol-ecules are linked by inter-molecular N-H⋯N hydrogen-bonding inter-actions to form a supra-molecular chain structure along the a axis. An intra-mol-ecular N-H⋯O hydrogen bond is also present.

| S-EPMC2962040 | biostudies-literature

1-(Benzothia-zol-2-yl)-3-(4-nitro-benzo-yl)thio-urea.

Project description:The mol-ecule of the title compound, C(15)H(10)N(4)O(3)S(2), is almost planar (r.m.s. deviation = 0.1Å for all non-H atoms). An intra-molecular N-H?O=C hydrogen bond is observed. In the crystal, mol-ecules are connected into layers parallel to (10) by a classical inter-molecular hydrogen bond from the second NH group to a nitro O atom and by three weak hydrogen bonds of the C-H?X type (X = O or S(thione)).

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