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Cinnamoyl-thio-urea.

ABSTRACT: 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.

SUBMITTER: Hassan IN

PROVIDER: S-EPMC3009376 | biostudies-literature | 2010 Oct

REPOSITORIES: biostudies-literature

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Cinnamoyl-thio-urea.

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

Acta crystallographica. Section E, Structure reports online 20101013 Pt 11

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. ...[more]

PMID: 21588993

Similar Datasets

(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.

| S-EPMC3009106 | biostudies-literature

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

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.

| S-EPMC3007976 | biostudies-literature

(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.

| S-EPMC3201284 | biostudies-literature

Tetra-aqua-bis-(thio-urea-?S)cadmium(II) triaqua-tris(thio-urea-?S)cadmium(II) disulfate.

Project description:The title compound, [Cd(CH(4)N(2)S)(2)(H(2)O)(4)][Cd(CH(4)N(2)S)(3)(H(2)O)(3)](SO(4))(2), contains two mol-ecules of each of the Cd complexes and four sulfate ions in the asymmetric unit: all the Cd atoms exhibit distorted octa-hedral geometries. The Cd-S and Cd-O bond lengths around the Cd atoms in the bis-(thio-urea) cations are in the ranges 2.580?(4)-2.599?(4) and 2.323?(8)-2.421?(9)?Å, respectively, and the S atoms are in a cis orientation. In the tris-(thio-urea) cations, the corresponding bond lengths around the Cd atoms are slightly longer and are in the ranges 2.559?(4)-2.706?(3) and 2.303?(7)-2.480?(10)?Å, respectively, and the S atoms are in a fac disposition. The crystal structure features numerous N-H?O, N-H?N, O-H?O and O-H?N hydrogen bonds. Two O atoms of a sulfate anion were found to be disordered over two orientations in a 0.620?(9):0.380?(9) ratio. The crystal studied was a racemic twin with BASF = 0.17?(5).

| S-EPMC3393206 | biostudies-literature

catena-Poly[[[bis-(thio-urea-κS)copper(I)]-μ-thio-urea-κS:S] iodide acetonitrile hemisolvate].

Project description:The title complex, {[Cu(CH(4)N(2)S)(3)]I·0.5CH(3)CN}(n), was formed by the reaction of CuI and thio-urea in acetonitrile. There are two independent Cu(I) ions in the asymmetric unit which are coordinated by two terminal and two bridging thio-urea ligands to form a one-dimensional helical chain structure progagating in the a-axis direction. Each Cu(I) ion is in a distorted tetra-hedral coordination environment. The crystal structure is stabilized by weak N-H⋯S and N-H⋯I hydrogen bonds.

| S-EPMC2960929 | biostudies-literature

Redetermination of catena-poly[[chlorido-(thio-urea-?S)copper(I)]-?-thio-urea-?S:S] at 100?K.

Project description:The structure of the polymeric title compound, [CuCl(CH(4)N(2)S)(2)](n), has been redetermined to modern standards of precision with anisotropic refinement and location of the H atoms. The previous structure report [Spofford & Amma (1970 ?). Acta Cryst. B26, 1474-1483] is generally confirmed to higher precision [typical Cu-S bond length s.u. values = 0.005 (old) and 0.001?Å (new)]. The asymmetric unit contains two formula units, with both Cu(I) atoms coordinated by one terminal S atom and two bridging S atoms of thio-urea ligands. This connectivity leads to polymeric [100] chains in the crystal. If very long contacts to nearby chloride ions [2.8687?(9) and 3.1394?(12)?Å] are considered to be bonding, then very distorted CuS(3)Cl tetra-hedral coordination polyhedra arise. The crystal structure is consolidated by weak intra- and inter-chain N-H?S and N-H?Cl hydrogen bonds.

| S-EPMC3297225 | biostudies-literature

1-Methyl-3-phenyl-thio-urea.

Project description:The title compound, C8H10N2S, was prepared by reaction of methyl-amine solution, KOH and phenyl-iso-thio-cyanate in ethanol. It adopts a syn-Me and anti-Ph conformation relative to the C=S double bond. The dihedral angle between the N-C(=S)-N thio-urea and phenyl planes is 67.83?(6)°. In the crystal, the mol-ecules centrosymmetrical dimers by pairs of N(Ph)-H?S hydrogen bonds. The dimers are linked by N(Me)-H?S hydrogen bonds into layers parallel to (100).

| S-EPMC4011236 | biostudies-literature

3-Acetyl-1-phenyl-thio-urea.

Project description:In the crystal structure of title compound, C(9)H(10)N(2)OS, there are two symmetry-independent mol-ecules, each having an intra-molecular N-H?O hydrogen bond generating an S(6) ring motif. The benzene rings and the virtually planar acetyl-thoiurea fragments [r.m.s. deviations = 0.0045 and 0.0341?Å] are oriented at dihedral angles of 50.71?(6) and 62.79?(6)° in the two mol-ecules. In the crystal, N-H?S and N-H?O hydrogen bonds link mol-ecules via cyclic R(2) (2)(8) and R(2) (2)(12) motifs into a one-dimensional polymeric network extending along [101]. The intra- and inter-molecular N-H?O inter-actions are part of a three-center hydrogen bond. A C-H?S inter-action also occurs.

| S-EPMC3275253 | biostudies-literature

Dichloridobis(thio-urea-?S)nickel(II).

Project description:The title complex, [NiCl(2)(CH(4)N(2)S)(2)], has been synthesized from the previously reported (diamino-methyl-idene)sulfonium chloride-thio-urea (3/2) salt [Zouihri (2012b ?). Acta Cryst. E68, o257]. The Ni(II) ion is coordinated in a distorted tetra-hedral geometry by two mol-ecules of thio-urea [Ni-S = 2.3079?(7) and 2.3177?(6)?Å] and two chloride anions [Ni-Cl = 2.2516?(7) and 2.2726?(7)?Å]. The bond angles at the Ni atom lie between 96.69?(2) and 115.40?(3)°, while the dihedral angle between the mean planes of the two thio-urea ligands is 6.36?(15)°. The crystal structure is characterized by intra- and inter-molecular N-H?Cl hydrogen bonds, which lead to the formation of two-dimensional networks lying parallel to the ab plane. The networks are linked via classical N-H?Cl and N-H?S hydrogen bonds, forming a three-dimensional arrangement.

| S-EPMC3297264 | biostudies-literature

3-Benzoyl-1,1-dibenzyl-thio-urea.

Project description:Two independent thio-urea mol-ecules comprise the asymmetric unit of the title compound, C(22)H(20)N(2)OS. The central N-C(=S)N(H)C(=O) atoms in each mol-ecule are virtually superimposable and each is twisted [C-N-C-S torsion angles = 121.3?(3) and -62.3?(4)°]. The mol-ecules differ only in terms of the relative orientations of the benzyl benzene rings [major difference between the C-N-C-C torsion angles of -146.6?(3) and -132.9?(3)°]. The presence of N-H?S hydrogen bonding leads to the formation of supra-molecular chains along the a axis. These are consolidated in the crystal packing by C-H?O inter-actions. The crystal was found to be a combined non-merohedral and racemic twin (twin law 00/00/001), with the fractional contribution of the minor components being approximately 9 and 28%.

| S-EPMC2983284 | biostudies-literature

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