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1,3-Di-n-butyl-thio-urea.

ABSTRACT: In the title compound, C(9)H(20)N(2)S, the n-butyl groups are in syn and anti positions in relation to the C=S bond. In the crystal, two mol-ecules are connected by two N-H?S=C hydrogen bonds into a centrosymmetric dimer. Another N-H?S=C hydrogen bond links the dimers, forming layers with a hydro-philic inter-ior and a hydro-phobic exterior, which spread across the (100) plane. Inter-lacing of the external butyl groups combines these layers into a three-dimensional structure.

SUBMITTER: Okuniewski A

PROVIDER: S-EPMC3099899 | biostudies-other | 2011 Apr

REPOSITORIES: biostudies-other

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1,3-Di-n-butyl-thio-urea.

Okuniewski Andrzej A Dąbrowska Agnieszka A Chojnacki Jaroslaw J

Acta crystallographica. Section E, Structure reports online 20110319 Pt 4

In the title compound, C(9)H(20)N(2)S, the n-butyl groups are in syn and anti positions in relation to the C=S bond. In the crystal, two mol-ecules are connected by two N-H⋯S=C hydrogen bonds into a centrosymmetric dimer. Another N-H⋯S=C hydrogen bond links the dimers, forming layers with a hydro-philic inter-ior and a hydro-phobic exterior, which spread across the (100) plane. Inter-lacing of the external butyl groups combines these layers into a three-dimensional structure. ...[more]

PMID: 21754195

Similar Datasets

Crystal structure of [1,3-bis-(di-phenyl-phosphan-yl)propane-κ(2) P,P'](N,N'-di-methyl-thio-urea-κS)(thio-cyanato-κN)copper(I).

Project description:The asymmetric unit of the title compound, [Cu(NCS)(C3H8N2S)(C27H26P2)], contains two independent mononuclear complex mol-ecules. In each, the Cu(I) ion exhibits a distorted tetra-hedral geometry by coordination with two P atoms from one 1,3-bis(diphenylphosphino)propane (dppm) ligand, one terminal S atom of one N,N'-di-methyl-thio-urea (dmtu) ligand and one terminal N atom of the thio-cyanato ligand. The dppp ligand is involved in a bidentate coordination mode with the Cu(I) ion, forming a six-membered CuP2C3 ring. In both mol-ecules, the coordination of the dmtu ligand is further stabilized by an intra-molecular N-H⋯N hydrogen bond with an S(6) graph-set motif. In the crystal, mol-ecules are linked by N-H⋯S hydrogen bonds forming a zigzag chain along the a-axis direction. In one independent mol-ecule, one of the phenyl rings of the dppp ligand is disordered over two sites with refined occupancies 0.639 (11):0.361 (11) and this corresponds with a mutual disorder of the dmtu ligand in the other independent mol-ecule giving the same ratio of refined occupancies. The structure was refined as a two-component inversion twin.

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Crystal structure of the 1:2 adduct of bis-(piperidinium) sulfate and 1,3-di-methyl-thio-urea.

Project description:In the title compound, 2C5H12N+·SO42-·2C3H8N2S, the C=S groups of the two independent 1,3-di-methyl-urea mol-ecules and the sulfur atom of the anion lie on twofold axes. The packing is centred on bis-(piperidinium) sulfate ribbons parallel to the c axis; the cations are hydrogen bonded to the sulfate by N-H⋯O and C-H⋯O inter-actions. The 1,3-di-methyl-urea mol-ecules are also hydrogen bonded to sulfate O atoms, and project outwards from the ribbon parallel to the b axis.

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Crystal structure of (1,3-di-methyl-thio-urea-κS)tris-(tri-phenyl-phosphane-κP)silver(I) acetate.

Project description:In the mononuclear title salt, [Ag(C3H8N2S)(C18H15P)3](CH3COO), the Ag(I) ion exhibits a distorted tetra-hedral coordination sphere defined by three P atoms from three tri-phenyl-phosphane ligands and one S atom from a 1,3-di--methyl-thio-urea ligand. In the crystal, the acetate anion is linked with the complex cation via duplex N-H⋯O hydrogen bonds [graph-set motif R (2) 2(8)].

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1-Benzoyl-3-(4-n-butyl-phen-yl)thio-urea.

Project description:The dihedral angle between the benzoyl and phenyl groups in the title compound, C(18)H(20)N(2)OS, is 30.57?(4)°. The crystal packing is characterized by N-H?O hydrogen bonds. In the crysta, pairs of N-H?S hydrogen bonds link the molecules into inversion dimers.

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1,3-Bis(2-meth-oxy-phen-yl)thio-urea.

Project description:In the title compound, C(15)H(16)N(2)O(2)S, the N-C(=S) bond lengths are indicative of the presence of amide-type resonance. The dihedral angles between the thio-urea unit and the attached aromatic rings are 59.80 (5) and 73.41 (4)° while the dihedral angle between the rings is 56.83 (4)°. In the crystal, inversion dimers linked by pairs of N-H⋯S hydrogen bonds occur. An N-H⋯π inter-action is observed for the second amino group. The shortest centroid-centroid distance between two aromatic systems is 4.0958 (8) Å.

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Di-chlorido-diphenyl-bis-(thio-urea-?S)tin(IV).

Project description:The title compound, [Sn(C6H5)2Cl2(CH4N2S)2], has been obtained from the reaction between Sn(C6H5)2Cl2 and SC(NH2)2. The asymmetric unit consists of one half of the mol-ecular unit, the remainder generated by a twofold rotation axis located along the Cl-Sn-Cl bonds. The Sn(IV) atom is coordinated by two phenyl groups, two Cl atoms and two thio-urea ligands in an all trans octa-hedral C2Cl2S2 environment. Individual mol-ecules are connected through N-H?Cl hydrogen bonds, leading to a three-dimensional network structure. Intra-molecular N-H?Cl hydrogen bonds are also present.

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Di-chlorido-dimethyl-bis-(thio-urea-κS)tin(IV).

Project description:The title compound, [Sn(CH3)2Cl2(CH4N2S)2], crystallizes with two half-mol-ecules in the asymmetric unit. Both mol-ecules are completed by inversion symmetry with the two Sn(IV) atoms located on inversion centers. The metal atoms have distorted octa-hedral coordination environments defined by two Cl atoms, two C atoms of methyl groups and two thio-urea S atoms. In the crystal, mol-ecules are linked via N-H⋯Cl and N-H⋯S hydrogen bonds, forming a three-dimensional structure.

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1,3-Bis(3-methyl-phen-yl)thio-urea: triclinic polymorph.

Project description:The title compound, C(15)H(16)N(2)S, crystallizes with two molecules in the asymmetric unit. The crystallographic behaviour of the two isomers is different. The mol-ecules are dimerized, forming an R(2) (2)(8) ring motif due to inter-molecular N-H?S hydrogen bonds. C-H?S hydrogen bonds form R(2) (2)(12) ring motifs. In one molecule, the dihedral angle between the benzene rings is 62.54?(6)°, whereas in the other it is 79.54?(6)°. The H atoms of one of the methyl groups in each molecule are disordered over two sites, with occupancy ratios of 0.52?(3):0.48?(3) and 0.60?(3):0.40?(3).

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1-(1,3-Benzothia-zol-2-yl)-3-benzoyl-thio-urea.

Project description:The title compound, C(15)H(11)N(3)OS(2), was synthesized from benzoyl thio-cyanate and 2-amino-benzothia-zole in dry acetone. The thio-urea group is in the thio-amide form. The mol-ecules are stabilized by two inter-molecular C-H⋯S and C-H⋯O hydrogen bonds. Intra-molecular N-H⋯O hydrogen bonding results in a pseudo-S(6) planar ring with dihedral angles of 11.23 and 11.91° with the benzothiazole ring system and the phenyl ring, respectively.

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catena-Poly[[bis-(thio-cyanato-?N)cobalt(II)]-di-?-thio-urea-?(4)S:S].

Project description:In the title polymeric complex, [Co(NCS)(2){SC(NH(2))(2)}(2)](n), the asymmetric unit comprises a Co(II) ion, which is situated on an inversion centre, an N-bound thio-cyanate anion and a ?(2)-bridging thio-urea mol-ecule. The Co(II) atom is coordinated in a distorted octa-hedral fashion within an N(2)S(4) donor set. The bridging thio-urea ligands link Co(II) ions into a polymeric chain extending along [100]. The mol-ecular conformation is stabilized by intra-molecular N-H?N hydrogen bonds, which generate S(6) ring motifs. The crystal packing is stabilized by N-H?S inter-actions, which connect the chains into a three-dimensional architecture.

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