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(E)-Methyl 2-(3-cinnamoyl-thio-ureido)acetate.

ABSTRACT: 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.

SUBMITTER: Hassan IN

PROVIDER: S-EPMC3007976 | biostudies-literature |

REPOSITORIES: biostudies-literature

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(E)-Ethyl 2-(3-cinnamoyl-thio-ureido)acetate.

Project description:In the title compound, C(14)H(16)N(2)O(3)S, the phenyl ring and the ethyl 2-(3-formyl-thio-ureido)acetate fragment adopt an E configuration with respect to the C=C bond. An intra-molecular N-H?O hydrogen bond generating an S(6) ring motif is observed. In the crystal, mol-ecules are linked by N-H?S, C-H?S and C-H?O hydrogen bonds, forming sheets lying parallel to the ab plane.

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Project description: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).

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(E)-2-(3-Cinnamoyl-thio-ureido)acetic acid dimethyl sulfoxide disolvate.

Project description:In the title compound, C(12)H(12)N(2)O(3)S·2C(2)H(6)OS, the acetic acid and cinnamoyl groups adopt Z and E configurations, respectively, with respect to the thio group about the C-N bonds. The components of the asymmetric unit are connected by N-H?O and O-H?O hydrogen bonds and in the crystal weak inter-molecular C-H?O and C-H?S hydrogen bonds further connect the components into chains along the b axis. In the main mol-ecule, an intra-molecular N-H?O hydrogen bond is also present.

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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.

Project description:The title compound, C(13)H(16)N(2)O(3)S, is a thio-urea derivative with benzoyl and propoxycarbonyl-methyl groups attached to the two terminal N atoms. These groups adopt trans and cis configurations, respectively, with respect to the S atom across the thio-urea C-N bonds. The compound crystallizes in the P2(1)/c space group with Z = 8, resulting in two unique molecules in the asymmetric unit linked by C-H⋯S and C-H⋯O hydrogen bonds, forming a one-dimensional zigzag chain along the c axis.

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

Project description:In the title compound, C(14)H(18)N(2)O(3)S, the butyl acetate fragment and the benzoyl group adopt a cis-trans configuration, respectively, with respect to the thiono S atom across the C-N bonds. In the crystal packing, the mol-ecules are linked by inter-molecular N-H⋯O and C-H⋯O hydrogen bonds to form a one-dimensional chain along the c axis. The terminal butyl C atom is disordered with occupancies 0.82 (2)and 0.18 (2).

| S-EPMC2959747 | biostudies-literature

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.

| S-EPMC3100062 | biostudies-literature

Ethyl 4-[3-(2-methyl-benzo-yl)thio-ureido]benzoate.

Project description:The mol-ecular conformation of the title compound, C(18)H(18)N(2)O(3)S, is stabilized by an intra-molecular N-H⋯O hydrogen bond. The crystal packing shows centrosymmetric dimers connected by N-H⋯S hydrogen bonds. The terminal eth-oxy substituents are statistically disordered [occupancy ratio 0.527 (5):0.473 (5)].

| S-EPMC2970993 | biostudies-literature

Cinnamoyl-thio-urea.

Project description:IN THE TITLE COMPOUND [SYSTEMATIC NAME: 1-(3-phenyl-prop-2-eno-yl)thio-urea], C(10)H(10)N(2)OS, the acetyl-thio-urea fragment and the phenyl ring adopt an E configuration. The roughly planar but-2-enoyl-thio-urea fragment [maximum deviation = 0.053?(3)?Å] forms a dihedral of 10.54?(11)° with the phenyl ring. An intra-molecular N-H?O hydrogen bond generates an S(6) ring. In the crystal, mol-ecules are linked into sheets parallel to (100) by N-H?S hydrogen bonds.

| S-EPMC3009376 | biostudies-literature

1-(4-Methyl-benzo-yl)-3-{2-[3-(4-methyl-benzo-yl)thio-ureido]phen-yl}thio-urea.

Project description:In the title compound, C(24)H(22)N(4)O(2)S(2), the dihedral angles formed by the thio-ureido groups with the attached benzene ring are 43.81?(13) and 75.25?(13)°. The dihedral angle between the thio-ureido groups is 85.48?(10)°. The mol-ecule is stabilized by intra-molecular N-H?S, N-H?O and C-H?S hydrogen bonds. In the crystal, molecules are linked by intermolecular N-H?S hydrogen bonds together with C-H?? inter-actions.

| S-EPMC3201486 | biostudies-literature

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