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N-[(4-Carbamoylphen-yl)carbamothio-yl]-2,3,4,5-tetra-fluoro-benzamide.

ABSTRACT: In the title compound, C(15)H(9)F(4)N(3)O(2)S, the N,N'-disubstituted thio-urea fragment adopts a cis,trans geometry, stabilized by an intra-molecular N-H⋯O hydrogen bond to the carbonyl O atom of the tetra-fluoro-benzoyl group. The central thio-urea group makes dihedral angles of 47.79 (7) and 35.54 (8)° with the two aromatic rings. In the crystal, mol-ecules are linked via N-H⋯O and N-H⋯S hydrogen bonds into two-dimensional polymeric structures parallel to (100). In turn, π-π stacking inter-actions between tetra-fluoro-benzene and benzene units [centroid-centroid distance = 3.996 (10) Å; dihedral angle = 13.60 (8)°] organize these two-dimensional assemblies into a three-dimensional framework.

SUBMITTER: Zhang LD

PROVIDER: S-EPMC3051937 | biostudies-literature |

REPOSITORIES: biostudies-literature

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3-Chloro-N-(diphenyl-carbamothio-yl)benzamide.

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N-(Diphenyl-carbamothio-yl)-3-methyl-benzamide.

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Project description:The title compound, C(17)H(18)N(2)OS, adopts a trans-cis geometry of the thio-urea group which is stabilized by intra-molecular hydrogen bonds between the O atom of the carbonyl group and the H atom of the thio-amide group. A C-H?S intramolecular hydrogen bond is also present. In the crystal structure, mol-ecules are linked by inter-molecular N-H?S hydrogen bonds to form centrosymmetric dimers.

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Project description:In the title compound, C(15)H(15)N(3)OS, the thio-urea group is stabilized by an intra-molecular hydrogen bond between the carbonyl O atom and the thio-amide group. A C-H?N intramolecular hydrogen bond is also present. Mol-ecules are linked by inter-molecular N-H?O and C-H?S hydrogen bonds.

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Project description:The asymmetric unit of the title compound, C(20)H(24)N(2)OS, consists of two crystallographically independent mol-ecules. In each mol-ecule, an intra-molecular N-H?O hydrogen bond forms an S(6) ring motif. The dihedral angles between the terminal benzene rings in the two mol-ecules are 75.52?(7) and 42.80?(7)°. In the crystal, inter-molecular N-H?S inter-actions link the mol-ecules into a chain along the c axis.

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3,3,4,4-Tetra-fluoro-2,3,4,5-tetra-hydro-1,6-benzodioxocine-8-carbaldehyde.

Project description:In the title compound, C(11)H(8)F(4)O(3), the eight-membered dialk-oxy ring adopts a highly puckered conformation. In the crystal, mol-ecules are linked by weak C-H?O inter-actions.

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Project description:The asymmetric unit of the title compound, 2C(7)H(2)F(4)O(2)·C(10)H(8)N(2), contains one mol-ecule of 2,3,4,5-tetra-fluoro-benzoic acid (tfb) and half of a centrosymmetric 4,4'-bipyridine mol-ecule. Inter-molecular O-H?N hydrogen bonds link two tfb mol-ecules and one 4,4'-bipyridine mol-ecule into a trimer. Weak inter-molecular C-H?F inter-actions assemble these trimers into a three-dimensional network structure.

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Project description:In the title compound, C(15)H(7)Cl(2)F(6)NO(2), the conformation of the N-H bond in the amide segment is anti to the C=O bond and the dihedral angle between the two benzene rings is 78.6?(3)°. The terminal -CHF(2) group is disordered over two orientations in a 0.67:0.33 ratio. In the crystal, the mol-ecules are linked by N-H?O hydrogen bonds, generating C(4) chains propagating in [100].

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