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3-Acetyl-1-(2,4-dimethyl-phen-yl)thio-urea.

ABSTRACT: In the crystal structure of the title compound, C(11)H(14)N(2)OS, the two N-H bonds are anti to each other. There is an intramolecular N-H⋯O hydrogen bond generating an S(6) ring motif.In the crystal, mol-ecules are linked via N-H⋯S hydrogen bonds with an R(2) (2)(8) motif and N-H⋯O hydrogen bonds with an R(2) (2)(12) motif into chains running along [1-10].

SUBMITTER: Gowda BT

PROVIDER: S-EPMC3414951 | biostudies-literature |

REPOSITORIES: biostudies-literature

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3-Acetyl-1-(2,6-dimethyl-phen-yl)thio-urea.

Project description:In the title compound, C(11)H(14)N(2)OS, the two N-H bonds are anti to each other and one of them is anti to the C=S and the other is syn. Further, the amide C=S and the C=O groups are anti to each other. The dihedral angle between the benzene ring and the side chain is 83.74?(5)°. An intra-molecular N-H?O hydrogen bond occurs. In the crystal, mol-ecules are linked into inversion dimers by pairs of N-H?S inter-actions.

| S-EPMC3414176 | biostudies-literature

3-Acetyl-1-(2,5-dimethyl-phen-yl)thio-urea.

Project description:In the title compound, C(11)H(14)N(2)OS, the thioamide C=S and amide C=O bonds are anti to each other; the N-H bonds are also anti to each other. The mol-ecular conformation is stabilized by an N-H?O hydrogen bond. In the crystal, the mol-ecules are linked into inversion dimers by pairs of N-H?S hydrogen bonds.

| S-EPMC3414274 | 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-(2,4-Difluoro-phen-yl)thio-urea.

Project description:The asymmetric unit of the title compound, C(7)H(6)F(2)N(2)S, consists of two independent mol-ecules, with comparable geometries. In one mol-ecule, the thio-urea moiety is essentially planar (r.m.s. deviation = 0.014 Å) and it forms a dihedral angle of 78.67 (9)° with the benzene ring. The corresponding r.m.s. deviation and dihedral angle for the other mol-ecule are 0.011 Å and 81.71 (8)°, respectively. In both mol-ecules, one of the F atoms is disordered over two positions with refined site occupancies of 0.572 (3):0.428 (3) and 0.909 (2):0.091 (2), respectively. In the crystal, mol-ecules are linked via N-H⋯S and C-H⋯F hydrogen bonds into two-dimensional networks parallel to (010).

| S-EPMC3414916 | biostudies-literature

3-Acetyl-1-(3-chloro-phen-yl)thio-urea.

Project description:In the title compound, C(9)H(9)ClN(2)OS, the 3-chloro-phenyl and acetyl-thio-urea fragments are oriented at a dihedral angle of 62.68?(5)°. An intra-molecular N-H?O hydrogen bond generates an S(6) ring motif. Mol-ecules are linked into dimers via a cyclic R(2) (2)(8) motif of N-H?S hydrogen bonds. These dimers are further connected through C-H?S inter-actions, completing an R(2) (2)(12) motif, into chains along [010].

| S-EPMC3344126 | biostudies-literature

3-Acetyl-1-(3-methyl-phen-yl)thio-urea.

Project description:In the crystal structure of the title compound, C(10)H(12)N(2)OS, the conformation of the two N-H bonds are anti to each other. The amide C=O and the C=S are are also anti to each other. The N-H bond adjacent to the benzene ring is syn to the m-methyl groups. The dihedral angle between the benzene ring and the side chain [mean plane of atoms C-C(O)N-C-N; maximum deviation 0.029?(2)?Å] is 14.30?(7)°. There is an intramolecular N-H?O hydrogen bond generating an S(6) ring motif. In the crystal, the molecules are linked via N-H?) hydrogen bonds, forming chains propagating along [001]. The S atom is disordered and was refined using a split model [occupancy ratio 0.56?(4):0.44?(4)].

| S-EPMC3415014 | biostudies-literature

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

Project description:In the crystal structure of the title compound, C(9)H(8)Cl(2)N(2)OS, there are two mol-ecules in the asymmetric unit which are connected by a pair of N-H?S hydrogen bonds. An intra-molecular N-H?O hydrogen bond stabilizes the mol-ecular conformation of each molecule.

| S-EPMC3414287 | biostudies-literature

3-Acetyl-1-(4-methyl-phen-yl)thio-urea.

Project description:The asymmetric unit of the title compound, C(10)H(12)N(2)OS, contains two independent mol-ecules. In both mol-ecules, the conformations of the two N-H bonds are anti to each other. Furthermore, the conformations of the amide C=S bonds and the C=O bonds are anti to each other. The dihedral angles between the benzene ring and the side chain are 52.8 (1) and 68.0 (1)° in the two independent mol-ecules. An intra-molecular N-H⋯O hydrogen bond occurs in both independent mol-ecules. In the crystal, mol-ecules are linked into infinite chains along the a axis through a series of N-H⋯O and N-H⋯S hydrogen bonds.

| S-EPMC3393939 | 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

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

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