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(E)-1-(4-Methyl-phen-yl)-3-[(1-phenyl-ethyl-idene)amino]-thio-urea.

ABSTRACT: In the title compound, C(16)H(17)N(3)S, the amino-thio-urea unit is nearly planar (r.m.s. deviation = 0.0425?Å), and is twisted with respect to the tolyl and phenyl rings by 57.84?(7) and 15.88?(14)°, respectively; the tolyl and phenyl rings are twisted by 65.64?(11)° to each other. Inter-molecular N-H?S and weak C-H?S hydrogen bonds are present in the crystal structure.

SUBMITTER: Zhang YL

PROVIDER: S-EPMC3120285 | biostudies-literature | 2011 Jun

REPOSITORIES: biostudies-literature

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(E)-1-(4-Methyl-phen-yl)-3-[(1-phenyl-ethyl-idene)amino]-thio-urea.

Zhang Yan-Ling YL Wu Chang-Zeng CZ Zhang Fu-Juan FJ

Acta crystallographica. Section E, Structure reports online 20110528 Pt 6

In the title compound, C(16)H(17)N(3)S, the amino-thio-urea unit is nearly planar (r.m.s. deviation = 0.0425 Å), and is twisted with respect to the tolyl and phenyl rings by 57.84 (7) and 15.88 (14)°, respectively; the tolyl and phenyl rings are twisted by 65.64 (11)° to each other. Inter-molecular N-H⋯S and weak C-H⋯S hydrogen bonds are present in the crystal structure. ...[more]

PMID: 21754906

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Project description:In the title thio-urea derivative, C(16)H(17)N(3)OS, the hy-droxy- and methyl-substituted benzene rings form dihedral angles of 9.62?(12) and 55.69?(6)°, respectively, with the central CN(3)S chromophore (r.m.s. deviation = 0.0117?Å). An intra-molecular O-H?N hydrogen bond ensures the coplanarity of the central atoms. The H atoms of the NH groups are syn and the conformation about the N=C double bond [1.295?(4)?Å] is E. In the crystal, helical supra-molecular chains sustained primarily by N-H?S hydrogen bonds are found. Additional stabilization is provided by C-H?? and ?-? [ring centroid(hy-droxy-benzene)?ring centroid(methyl-benzene) = 3.8524?(18)?Å] inter-actions.

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1-Benzyl-idene-amino-3-(4-methyl-phen-yl)thio-urea.

Project description:In the title compound, C(15)H(15)N(3)S, the almost planar 2-benzyl-idenehydrazinecarbothio-amide unit (r.m.s. deviation = 0.0351?Å) is aligned at a dihedral angle of 64.42?(6)° with respect to the plane of the tolyl ring. The mol-ecule exhibits an E configuration for the azomethine linkage. In the crystal, inter-molecular N-H?S hydrogen bonds about centers of inversion lead to the formation of dimers.

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Project description:There are two independent mol-ecules in the asymmetric unit of the title compound, C(13)H(13)N(3)OS, which was obtained from a condensation reaction of N-(p-tol-yl)hydrazinecarbothio-amide and furfural. The dihedral angles between the mean planes of the tolyl ring and the (furan-2-yl-methyl-ene)hydrazine unit are 39.83?(8) and 48.95?(7)° in the two mol-ecules. The mol-ecules both exhibit an E configuration. In the crystal, inter-molecular N-H?N and N-H?S hydrogen bonds connect the two independent mol-ecules.

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3-[(Cyclo-hexyl-idene)amino]-1-(4-methyl-phen-yl)thio-urea.

Project description:In the title compound, C(14)H(19)N(3)S, the cyclo-hexane ring has a chair conformation. The almost planar amino-thio-urea unit (r.m.s. deviation = 0.0062?Å) is aligned at a dihedral angle of 45.23?(8)° with respect to the benzene ring. Inter-molecular N-H?N and N-H?S hydrogen bonding stabilizes the crystal structure.

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1-{2-[(4-Chloro-benzyl-idene)amino]phen-yl}-3-phenyl-thio-urea.

Project description:The asymmetric unit of the title compound, C(20)H(16)ClN(3)S, contains two independent mol-ecules, A and B. In mol-ecule A, the dihedral angles between the central benzene ring and the pendant chloro-benzene and phenyl rings are 6.37?(15) and 64.79?(15)°, respectively. The corresponding values in mol-ecule B are 28.21?(14) and 82.11?(16)°, respectively. Each mol-ecule features an intra-molecular N-H?N hydrogen bond, which generates an S(5) ring. In the crystal, mol-ecules A and B form dimers, being linked by two N-H?S hydrogen bonds with graph-set notation R(2) (2)(8).

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1-{2-[(Anthracen-10-yl)methyl-ene-amino]phen-yl}-3-phenyl-thio-urea.

Project description:The title compound, C(28)H(21)N(3)S, crystallizes with two mol-ecules in the asymmetric unit. There are only very slight differences in the torsion angles between the two molecules. The two mol-ecules are stabilized by intra-molecular N-H?N inter-actions and the crystal packing is stabilized by inter-molecular N-H?S inter-actions.

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Project description:Two independent mol-ecules comprise the asymmetric unit of the title compound, C(13)H(19)N(3)OS, which differ in the conformations of the residues linking the thio-urea and the terminal benzene ring, as manifested in the C(m)-C(m)-C(a)-C(a) torsion angles [78.03?(16) and -93.64?(16)°, respectively; m = methyl-ene and a = aromatic]. The dihedral angles [84.40?(4) and 88.28?(5)°] formed between the thio-urea residue and the benzene ring indicate an almost orthogonal relationship. In each thio-urea residue, the N-H hydrogen atoms are anti, and the terminal N-H hydrogen atom forms an intra-molecular N-H?N hydrogen bond with the imine-N atom. In each case, the conformation about the imine C=N double bond [1.2812?(17) and 1.2801?(17)?Å] is E. In the crystal, the mol-ecules are connected by N-H?S hydrogen bonds and these are connected into four mol-ecule aggregates via N-H?O hydrogen bonds, which are assembled into a two-dimensional array parallel to (011) via C-H?? and ?-? inter-actions [ring centroid-centroid distance = 3.8344?(9)?Å].

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Crystal structure of 1-{(Z)-[(2E)-3-(4-chloro-phen-yl)-1-phenyl-prop-2-en-1-yl-idene]amino}-3-ethyl-thio-urea.

Project description:In the title thio-semicarbazone compound, C18H18ClN3S, the CN3S residue is almost planar (r.m.s. deviation = 0.0031 Å) and forms dihedral angles of 65.99 (7) and 34.60 (10)° with the phenyl and chloro-benzene rings, respectively; the dihedral angle between the aromatic rings is 85.13 (8)°. The conformation about the C=N bond is Z, and that about the C=C bonds is E. The imine N and ethyl N atoms are syn and are linked by an eth-yl-imine N-H⋯N hydrogen bond. This H atom also forms an inter-molecular hydrogen bond to the thione S atom, resulting in a supra-molecular helical chain propagating along the b axis. The chains are consolidated into a three-dimensional architecture by phenyl-C-H⋯Cl contacts and weak π-π inter-actions between centrosymmetrically related chloro-benzene rings [inter-centroid distance = 3.9127 (15) Å].

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(E)-[({[(3-Methyl-phen-yl)meth-yl]sulfan-yl}methane-thio-yl)amino](1-phenyl-pentyl-idene)amine.

Project description:In the structure of the title compound, C(20)H(24)N(2)S(2), the central CN(2)S(2) atoms are planar (r.m.s. deviation = 0.0205?Å) but both benzene rings are twisted out of this plane forming dihedral angles of 23.03?(6) and 84.75?(4)° (tol-yl); the n-butyl group occupies a position normal to the plane [N-C-C-C torsion angle = -84.33?(16)°]. The conformation of the imine bond [1.2888?(18)?Å] is E. The syn arrangement of the thione S and amino H atoms enables the formation of N-H?S hydrogen bonds between centrosymmetrically related mol-ecules. These lead to eight-membered {?HNC=S}(2) synthons which are further stabilized by proximate C-H?S interactions. The resulting dimeric aggregates are connected into a supra-molecular chain along the c axis by C-H??(tol-yl) inter-actions.

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1-{(E)-[3-(1H-Imidazol-1-yl)-1-phenyl-propyl-idene]amino}-3-(2-methyl-phen-yl)urea.

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