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Methyl 2-(3-benzoyl-thio-ureido)acetate.

ABSTRACT: In the title compound, C(11)H(12)N(2)O(3)S, the methyl acetate and benzoyl groups adopt a cis-trans configuration with respect to the thiono S atom across the C-N bonds. An intra-molecular N-H?O hydrogen bond is observed. In the crystal packing, mol-ecules are linked by inter-molecular N-H?S and C-H?O hydrogen bonds to form a two-dimensional network lying parallel to (101).

SUBMITTER: Hassan IN

PROVIDER: S-EPMC2972120 | biostudies-literature | 2009 Nov

REPOSITORIES: biostudies-literature

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Methyl 2-(3-benzoyl-thio-ureido)acetate.

Hassan Ibrahim N IN Yamin Bohari M BM Kassim Mohammad B MB

Acta crystallographica. Section E, Structure reports online 20091114 Pt 12

In the title compound, C(11)H(12)N(2)O(3)S, the methyl acetate and benzoyl groups adopt a cis-trans configuration with respect to the thiono S atom across the C-N bonds. An intra-molecular N-H⋯O hydrogen bond is observed. In the crystal packing, mol-ecules are linked by inter-molecular N-H⋯S and C-H⋯O hydrogen bonds to form a two-dimensional network lying parallel to (101). ...[more]

PMID: 21578808

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Ethyl 2-(3-benzoyl-thio-ureido)acetate.

Project description:The title compound, C(12)H(14)N(2)O(3)S, adopts a cis-trans geometry of the thio-urea group and is stabilized by intra-molecular hydrogen bonds between the carbonyl O atoms and the H atom of the thio-amide group and by a C-H?S interaction. Mol-ecules are linked by two inter-molecular hydrogen bonds (C-H?O and N-H?O), forming a one-dimensional chain parallel to the c axis.

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Propyl 2-(3-benzoyl-thio-ureido)acetate.

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Methyl 3-(3-benzoyl-thio-ureido)propano-ate.

Project description:In the title compound, C(12)H(14)N(2)O(3)S, the propyl acetate group and the benzoyl group adopt a cis-trans conformation, respectively, with respect to the thiono S atom across the C-N bonds. The phenyl ring is twisted relative to the the thio-urea mean plane, forming a dihedral angle of 24.16?(9)°. An intra-molecular N-H?O hydrogen bond occurs. The crystal packing is stabilized by inter-molecular N-H?O and C-H?O hydrogen bonds, forming a chain along the a axis.

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Project description:In the title compound, C(13)H(14)N(2)O(3)S, the methyl 2-(3-formyl-thio-ureido)acetate fragment and the phenyl ring adopt an E configuration. The mol-ecule exhibits an intra-molecular N-H⋯O hydrogen bond, which completes a six-membered ring. The crystal packing is stabilized by inter-molecular N-H⋯S contacts, generating a two-dimensional hydrogen-bonding network.

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Project description:The mol-ecule of the title compound, C(22)H(18)N(4)O(2)S(2), lies across a crystallographic inversion centre. The mol-ecule adopts a syn-anti configuration with respect to the positions of the carbonyl groups and terminal phenyl rings relative to the thione S atom across the C-N bond. There are two intra-molecular N-H?O and C-H?S hydrogen bonds within each molecule, resulting in the formation of four six-membered S(6) rings. The central and terminal rings make a dihedral angle of 13.55?(15)°. In the crystal, mol-ecules are linked by inter-molecular C-H?S hydrogen bonds, forming R(2) (2)(14) rings and resulting in zigzag chains.

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Ethyl 4-(3-benzoyl-thio-ureido)benzoate.

Project description:The title compound, C(17)H(16)N(2)O(3)S, crystallizes in the thio-amide form with an intra-molecular N-H⋯O hydrogen bond across the thio-urea system. Mol-ecules are connected in chains parallel to [10] by hydrogen bonds from the second thio-urea N-H group to the benzoate C=O function.

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(±)-1,2-Bis(N'-benzoyl-thio-ureido)cyclo-hexa-ne.

Project description:In the title compound, C(22)H(24)N(4)O(2)S(2), the two thio-urea segments of the side-arm groups are inclined at a dihedral angle of 73.09?(9)°. The central cyclo-hexane bridge adopts a chair conformation. The mol-ecule is stabilized by N-H?O intra-molecular hydrogen bonds forming S(6) rings, and N-H?O and N-H?S inter-molecular hydrogen bonds forming infinite chains developing parallel to the b axis.

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1,2-Bis(N'-benzoyl-thio-ureido)-4-chloro-benzene.

Project description:In the title compound, C(22)H(17)ClN(4)O(2)S(2), both benzoyl groups are trans to the thiono group across their C-N bonds. The two methyl-ene carbamothioyl formamide fragments of the benzoyl-thio-urea side arms make a dihedral angle of 87.00?(10)°. The mol-ecule is stabilized by intra-molecular N-H?O, N-H?S and C-H?·S hydrogen bonds. In the crystal, mol-ecules are linked by N-H?O and N-H?S inter-molecular hydrogen bonds into zigzag chains along the a axis.

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