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1.
Acta Crystallogr Sect E Struct Rep Online ; 67(Pt 5): o1168, 2011 May 01.
Article in English | MEDLINE | ID: mdl-21754474

ABSTRACT

The title compound, C(7)H(9)N(3)S(2), crystallizes with two unique mol-ecules in the unit cell, both present as thio-semicarbazide tautomers. The mol-ecules differ principally in the dihedral angles between the thio-phene ring planes and the planes through the non-H atoms of the hydrazinecarbothio-amide units, viz. 9.80 (8)° for one mol-ecule and 19.37 (7)° for the other. The hydrazinecarbothio-amide units are reasonably planar, with r.m.s. deviations of 0.001Å for each of the mol-ecules. In the crystal, N-H⋯S hydrogen bonds link like mol-ecules into R(2) (2)(8) inversion dimers. A three-dimensional network structure is generated by additional N-H⋯S hydrogen bonds and weak C-H⋯S contacts between the unique mol-ecules.

2.
Acta Crystallogr Sect E Struct Rep Online ; 67(Pt 9): m1269, 2011 Sep 01.
Article in English | MEDLINE | ID: mdl-22058871

ABSTRACT

The Co(II) ion in the title complex, (C(4)H(14)N(2))(2)[Co(C(2)O(4))(3)]·2H(2)O, is coordinated by three oxalate ions, resulting in a distorted octa-hedral geometry. Two uncoordinated water mol-ecules are present in asymmetric unit. Inter-molecular N-H⋯O and O-H⋯O hydrogen bonds between the different entities stabilize the crystal structure.

3.
Acta Crystallogr Sect E Struct Rep Online ; 67(Pt 8): m1046, 2011 Aug 01.
Article in English | MEDLINE | ID: mdl-22090836

ABSTRACT

The asymmetric unit of the title salt, (C(4)H(14)N(2))[Cu(C(2)O(4))(2)], consists of one complex anion and two cationic half-mol-ecules, the other halves being generated by inversion symmetry. The Cu(II) atom in the anion is coordinated by two bidentate oxalate ligands in a distorted square-planar geometry. Inter-molecular hydrogen bonds, involving the NH groups as donors and O atoms as acceptors, are observed, which lead to the formation of a three-dimensional network structure.

4.
Acta Crystallogr E Crystallogr Commun ; 76(Pt 8): 1349-1352, 2020 Aug 01.
Article in English | MEDLINE | ID: mdl-32844027

ABSTRACT

A tetra-nuclear ZnII complex, [Zn4(C13H11N6O)2Cl6(H2O)2] or {[Zn2(HL)(H2O)(Cl2)](µCl)2[Zn2(HL)(H2O)(Cl)]}2, was synthesized by mixing an equimolar amount of a methanol solution containing ZnCl2 and a methanol solution containing the ligand H2 L [1,5-bis-(pyridin-2-yl-methyl-ene)carbono-hydrazide]. In the tetra-nuclear complex, each of the two ligand mol-ecules forms a dinuclear unit that is connected to another dinuclear unit by two bridging chloride anions. In each dinuclear unit, one ZnII cation is penta-coordinated in a N2OCl2 in a distorted square-pyramidal geometry, while the other ZnII cation is hexa-coordinated in a N3OCl2 environment with a distorted octa-hedral geometry. The basal plane around the penta-coordinated ZnII cation is formed by one chloride anion, one oxygen atom, one imino nitro-gen atom and one pyridine nitro-gen atom with the apical position occupied by a chloride anion. The basal plane of the hexa-coordinated ZnII cation is formed by one chloride anion, one hydrazinyl nitro-gen atom, one imino nitro-gen atom and one pyridine nitro-gen atom with the apical positions occupied by a water oxygen atom and a bridged chloro anion from another dinuclear unit, leading to a tetra-nuclear complex. A series of intra-molecular C-H⋯Cl hydrogen bonds is observed in each tetra-nuclear unit. In the crystal, the tetra-nuclear units are connected by inter-molecular C-H⋯Cl, C-H⋯O and N-H⋯O hydrogen bonds, forming a planar two-dimensional structure in the ac plane.

5.
Acta Crystallogr Sect E Struct Rep Online ; 65(Pt 6): o1252, 2009 May 14.
Article in English | MEDLINE | ID: mdl-21583117

ABSTRACT

In the title compound, C(6)H(9)N(2)S(+)·Cl(-)·CH(4)N(2)S, the 4,6-di-methyl-2-thioxo-1,2-dihydro-pyrimidin-3-ium cation is proton-ated at one of the pyrimidine N atoms. The cations are bridged by the chloride anions through a pair of N-H⋯Cl hydrogen bonds. The amino groups of each thio-urea adduct inter-act with the chloride anions through a pair of N-H⋯Cl hydrogen bonds and the S atom of another thio-urea adduct through a pair of N-H⋯S hydrogen bonds. These inter-actions result in a layered hydrogen-bonded network propagating parallel to the bc plane. Except for two H atoms, all atoms are on special positions.

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