78 research outputs found
1-(3-Chlorobenzoyl)-3-(2,3-dimethylphenyl)thiourea
The title molecule, C16H15ClN2OS, exists in the solid state in its thione form with typical thiourea C—S and C—O bonds lengths, as well as shortened C—N bonds. An intramolecular N—H⋯O hydrogen bond stabilizes the molecular conformation and intermolecular N—H⋯S hydrogen bonds link the molecules into centrosymmetric dimers. The dihedral angle between the aromatic rings is 50.18 (5)°
1-(4-Chlorobenzoyl)-3-(2,4,6-trichlorophenyl)thiourea hemihydrate
The asymmetric unit of the title compound, C14H8Cl4N2OS·0.5H2O, contains two independent molecules with different conformations with respect to the aromatic ring planes, and one water molecule. The bond lengths and angles are typical of thiourea compounds of this class. The molecule exists in the solid state in its thione form with typical thiourea 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 molecules. An intramolecular N—H⋯O hydrogen bond stabilizes the molecular conformation and the crystal packing is characterized by N—H⋯O, O—H⋯S and O—H⋯Cl hydrogen bonds
1-(3-Chlorophenyl)-3-(2,6-dichlorobenzoyl)thiourea
The structure of the title compound, C14H9Cl3N2OS, is composed of discrete molecules with bond lengths and angles quite typical for thiourea compounds of this class. The plane containing the thiocarbonyl 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-dichlorophenyl rings, respectively; the dihedral angle between the two benzene ring planes is 45.32 (3)°. An intramolecular N—H⋯O hydrogen bond stabilizes the molecular conformation and the molecules form intermolecular N—H⋯S and N—H⋯O hydrogen bonds, generating a sheet along the a axis
1-(2,6-Dichlorobenzoyl)-3-(2,3,5,6-tetrachlorophenyl)thiourea trichloromethane hemisolvate
The title compound, C14H6Cl6N2OS·0.5CHCl3, crystallizes with four 1-(2,6-dichlorobenzoyl)-3-(2,3,5,6-tetrachlorophenyl)thiourea molecules and two trichloromethane molecules in the asymmetric unit. The thiourea molecules exist in the solid state in their thione forms with typical thiourea C—S and C—O bonds lengths, as well as shortened C—N bonds. The —NH—C(=S)—NH—C(=O)— plane is almost perpendicular to the benzene ring in each thiourea molecule. Intramolecular N—H⋯O hydrogen bonds stabilize the molecular conformation and intermolecular N—H⋯S hydrogen bonds stabilize the packing arrangement
1-(4-Chlorophenyl)-3-(2,4-dichlorobenzoyl)thiourea
The title compound, C14H9Cl3N2OS, has bond lengths and angles which are quite typical for thiourea compounds of this class. The molecule exists in the solid state in its thione form with typical thiourea C=S and C=O bond lengths, as well as shortened C—N bonds. An intramolecular N—H⋯O hydrogen bond stabilizes the molecular conformation. Intermolecular N—H⋯S hydrogen bonds link the molecules to form centrosymmetric dimers
1-(2,6-Dichlorobenzoyl)-3-(3,5-dichlorophenyl)thiourea
The crystal structure of the title compound, C14H8Cl4N2OS, is composed of discrete molecules with bond lengths and angles quite typical for thiourea compounds of this class. The plane containing the central SONNCC atom set subtends a dihedral angle of 31.47 (3)° with the benzene ring. An intramolecular N—H⋯O hydrogen bond stabilizes the molecular conformation and the molecules form centrosymmetric dimers via intermolecular N—H⋯S hydrogen bonds
1-(2,6-Dichlorobenzoyl)-3-(3-methoxyphenyl)thiourea
The two aromatic rings in the title compound, C15H12Cl2N2O2S, enclose a dihedral angle of 37.49 (6)°. The molecule exists in the solid state in its thione form with typical thiourea C-S and C-O bonds lengths, as well as shortened C-N bonds. An intramolecular N-H...O hydrogen bond stabilizes the molecular conformation. In the crystal, molecules are connected by N-H...O and N-H...S hydrogen bonds, forming chains running along the alpha axis. Key indicators: single-crystal X-ray study; T = 173 K; mean σ (C–C) = 0.002 Å; disorder in main residue; R factor = 0.035; wR factor = 0.087; data-to-parameter ratio = 18.9
1-Benzoyl-3-(2,4,5-trichlorophenyl)thiourea
The benzene and phenyl rings in the title compound, C14H9Cl3N2OS, form a dihedral angle of 40.98 (6)°. The molecule exists in the thione form with typical thiourea C—S [1.666 (2) Å] and C—O [1.227 (3) Å] bond lengths as well as shortened C—N bonds [1.345 (3) and 1.386 (2) Å]. An intramolecular N—H⋯O hydrogen bond stabilizes the molecular conformation. In the crystal, pairs of N—H⋯S hydrogen bonds link the molecules into centrosymmetric dimers
2-(4-Bromophenoxy)propanohydrazide
The title compound, C9H11BrN2O2, is an important intermediate for the synthesis of heterocyclic compounds such as azoles, 2,5-disubstituted-1,3,4-oxadiazoles and 5-substituted 2-mercapto-1,3,4-oxadiazoles. The bromophenoxy group subtends a dihedral angle of 82.81 (7)° with the plane passing through the propanohydrazide moiety. The crystal structure is stabilized by intermolecular N—H⋯O hydrogen bonds that form columns extending along the b axis
5-[1-(3,4-Dichlorophenoxy)ethyl]-1,3,4-oxadiazole-2(3H)-thione hemihydrate
In the title compound, C10H8Cl2N2O2S·0.5H2O, the atoms in the oxadiazole ring are essentially coplanar (r.m.s. deviation 0.010 Å). The crystal structure is stabilized by intermolecular N—H⋯O hydrogen bonds involving the water molecule, which is situated on an a twofold rotation axis, and two organic molecules, leading to a thione tautomer in the solid state. The C atom attached to the oxadiazole ring adopts a typical sp3 hybridization. The dihedral angle between the mean plane of the benzene ring of the dichlorophenyl group and the mean plane of the oxadiazole ring is 74.18 (4)°. The crystal structure is stabilized by intermolecular N—H⋯O and O—H⋯S hydrogen bonds
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