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1-(2-Furo-yl)-3-(o-tol-yl)thio-urea.

ABSTRACT: The title compound, C(13)H(12)N(2)O(2)S, was synthesized from furoyl isothio-cyanate and o-toluidine in dry acetone. The thio-urea group is in the thio-amide form. The central thio-urea fragment makes dihedral angles of 2.6?(1) and 22.4?(1)° with the ketofuran group and the benzene ring, respectively. The mol-ecular structure is stabilized by N-H?O hydrogen bonds. In the crystal structure, centrosymmetrically related mol-ecules are linked by a pair of N-H?S hydrogen bonds to form a dimer with an R(2) (2)(6) ring motif.

SUBMITTER: Correa RS

PROVIDER: S-EPMC2962048 | biostudies-literature | 2008 Jul

REPOSITORIES: biostudies-literature

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1-(2-Furo-yl)-3-(o-tol-yl)thio-urea.

Corrêa Rodrigo S RS Estévez-Hernández O O Ellena J J Duque J J

Acta crystallographica. Section E, Structure reports online 20080705 Pt 8

The title compound, C(13)H(12)N(2)O(2)S, was synthesized from furoyl isothio-cyanate and o-toluidine in dry acetone. The thio-urea group is in the thio-amide form. The central thio-urea fragment makes dihedral angles of 2.6 (1) and 22.4 (1)° with the ketofuran group and the benzene ring, respectively. The mol-ecular structure is stabilized by N-H⋯O hydrogen bonds. In the crystal structure, centrosymmetrically related mol-ecules are linked by a pair of N-H⋯S hydrogen bonds to form a dimer with an ...[more]

PMID: 21203133

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1-(o-Tol-yl)thio-urea.

Project description:In the title compound, C(8)H(10)N(2)S, the o-tolyl group and the thio-urea core are planar. The mean planes of the two groups are almost perpendicular [82.19?(8)°]. The thio-urea group is in the thio-amide form, in which resonance is present. In the crystal structure, mol-ecules are linked by inter-molecular N-H?S hydrogen bonds, forming two infinite chains parallel to the (110) and (10) planes.

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1-Benzyl-3-(2-furo-yl)thio-urea.

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N-(2-Furo-yl)-N'-(2-pyrid-yl)thio-urea.

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1-(3-Cyano-phen-yl)-3-(2-furo-yl)thio-urea.

Project description:The title compound, C(13)H(9)N(3)O(2)S, was synthesized from furoyl isothio-cyanate and 3-amino-benzonitrile in dry acetone. The thio-urea group is in the thio-amide form. The thio-urea fragment makes dihedral angles of 3.91 (16) and 37.83 (12)° with the ketofuran group and the benzene ring, respectively. The mol-ecular geometry is stabilized by N-H⋯O hydrogen bonds. In the crystal structure, centrosymmetrically related mol-ecules are linked by two inter-molecular N-H⋯S hydrogen bonds to form dimers.

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Project description:The title compound, C(12)H(16)N(2)O(2)S, was synthesized from furoyl isothio-cyanate and cyclo-hexyl-amine in dry acetone, and the crystal structure redetermined. The thio-urea group is in the thio-amide form. The structure [Otazo-Sánchez et al. (2001 ?). J. Chem. Soc. Perkin Trans. 2, pp. 2211-2218] has been redetermined in order to establish the intra- and inter-molecular inter-actions. The trans-cis geometry of the thio-urea group is stabilized by intra-molecular hydrogen bonding between the carbonyl and cis-thio-amide groups, resulting in a pseudo-S(6) planar ring which makes a dihedral angle of 3.24?(6)° with the 2-furoyl group and a torsion angle of -84.3?(2)° with the cyclo-hexyl group. There is also an intra-molecular hydrogen bond between the furan O atom and the other thio-amide H atom. In the crystal structure, mol-ecules are linked by inter-molecular N-H?O hydrogen bonds, forming chains along [010].

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N-(2-Bromo-phen-yl)thio-urea.

Project description:In the title compound, C(7)H(7)BrN(2)S, the thio-urea unit is almost perpendicular to the bromo-benzene fragment, making a dihedral angle of 80.82?(16)°. The crystal structure is stabilized by N-H?S inter-molecular hydrogen bonds, which form linear chains along the ab diagonal.

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1-(3-Chloro-phen-yl)thio-urea.

Project description:In the title compound, C(7)H(7)ClN(2)S, the thio-urea N-C(=S)-N plane forms a dihedral angle of 64.80?(6)° with the benzene ring. In the crystal, mol-ecules are linked via inter-molecular N-H?S and N-H?Cl hydrogen bonds into a sheet extending parallel to the (101) plane.

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N-(3,4-Dichloro-phen-yl)thio-urea.

Project description:In the title compound, C(7)H(6)Cl(2)N(2)S, the benzene ring and the mean plane of the thio-urea fragment [-N-C(=S)-N] make a dihedral angle of 66.77?(3)°. Inter-molecular N-H?S and N-H?Cl hydrogen bonds link the mol-ecules into a three-dimensional network.

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