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N-[Eth-yl(2-hy-droxy-eth-yl)carbamo-thio-yl]-3-fluoro-benzamide.

ABSTRACT: In the title compound, C12H15FN2O2S, the mol-ecule adopts a cis configuration of the fluoro-benzoyl group with respect to the thiono group about their C-N bond. The dihedral angle between the fluoro-benzoyl group and the thio-urea N2CS fragment is 69.60?(11)°. An intra-molecular N-H?O hydrogen bond occurs. In the crystal, mol-ecules form chains along the b-axis direction via O-H?S and C-H?O hydrogen bonds.

SUBMITTER: Awang NW

PROVIDER: S-EPMC4011211 | biostudies-literature | 2014 May

REPOSITORIES: biostudies-literature

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N-[Eth-yl(2-hy-droxy-eth-yl)carbamo-thio-yl]-3-fluoro-benzamide.

Awang Nor Wahida NW Hasbullah Siti Aishah SA Yusoff Siti Fairus M SF Yamin Bohari M BM

Acta crystallographica. Section E, Structure reports online 20140418 Pt 5

In the title compound, C12H15FN2O2S, the mol-ecule adopts a cis configuration of the fluoro-benzoyl group with respect to the thiono group about their C-N bond. The dihedral angle between the fluoro-benzoyl group and the thio-urea N2CS fragment is 69.60 (11)°. An intra-molecular N-H⋯O hydrogen bond occurs. In the crystal, mol-ecules form chains along the b-axis direction via O-H⋯S and C-H⋯O hydrogen bonds. ...[more]

PMID: 24860375

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N-[Eth-yl(2-hy-droxy-eth-yl)carbamo-thio-yl]-2-methyl-benzamide.

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2-Hy-droxy-N-(2-hy-droxy-eth-yl)benzamide.

Project description:In the title compound, C(9)H(11)NO(3), a derivative of salicyl-amide, the intra-cyclic C-C-C angles span the range 117.96?(13)-121.56?(14)°. An intra-molecular O-H?O hydro-gen bond occurs. In the crystal, inter-molecular O-H?O and N-H?O hydrogen bonds occur and C-H?O contacts connect the mol-ecules into a three-dimensional network. The closest inter-centroid distance between two ?-systems is 3.8809?(10)?Å.

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2-[Carbamo-thio-yl(2-hy-droxy-eth-yl)amino]-ethyl benzoate: crystal structure, Hirshfeld surface analysis and computational study.

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Crystal structure and Hirshfeld surface analysis of <i>N</i>-(2-chloro-phenyl-carbamo-thio-yl)-4-fluoro-benzamide and <i>N</i>-(4-bromo-phenyl-carbamo-thio-yl)-4-fluoro-benzamide.

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Crystal structure of 2-methyl-N-{[2-(pyri-din-2-yl)eth-yl]carbamo-thio-yl}benzamide.

Project description:In the title compound, C16H17N3OS, a benzoyl thio-urea derivative, the planes of the pyridine and benzene rings are inclined to one another by 66.54 (9)°. There is an intra-molecular N-H⋯O hydrogen bond present forming an S(6) ring motif. In the crystal, mol-ecules are linked via pairs of N-H⋯N hydrogen bonds, forming inversion dimers, which are reinforced by pairs of C-H⋯S hydrogen bonds. The dimers are linked via C-H⋯π inter-actions, forming ribbons along [010].

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3-{[(Di-benzyl-carbamo-thio-yl)amino]-carbon-yl}benzamide.

Project description:Two independent mol-ecules with quite similar conformations, A and B, comprise the asymmetric unit of the title compound, C23H21N3O2S. The terminal amide substituent is coplanar with the attached benzene ring [the O-C-C-C torsion angles are 174.0?(2) (A) and 6.3?(3)° (B)]. In the same way, the central amide group [C-C-C-O = 7.8?(3) (A) and 11.5?(3)° (B)] is approximately coplanar with the ring to which it is attached. A major twist is noted between the amide and adjacent thio-amide residues [C-N-C-S = -109.29?(19) (A) and -112.29?(19)° (B)]. In the crystal, supra-molecular chains along [100] are formed by N-H?O and N-H?S hydrogen bonding. These are connected into a three-dimensional architecture by C-H?? and ?-? inter-actions [inter-centroid distance = 3.9157?(12)?Å].

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