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Bis(2-amino-5-methyl-1,3,4-thia-diazole-?N(3))dichloridocobalt(II).

ABSTRACT: In the monomeric title complex, [CoCl(2)(C(3)H(5)N(3)S)(2)], the Co(II) atom is tetra-coordinated by two chloride anions and two N atoms from two monodentate 2-amino-5-methyl-1,3,4-thia-diazole ligands, giving a slightly distorted tetra-hedral stereochemistry [bond angle range about Co = 105.16?(12)-112.50?(10)°]. In the complex, the dihedral angle between the 1,3,4-thia-diazole planes in the two ligands is 72.8?(1)°. There are two intra-molecular N-H?Cl inter-actions in the complex unit, while in the crystal, inter-molecular N-H?N and N-H?Cl hydrogen bonds link these units into a two-dimensional layered structure parallel to (011).

SUBMITTER: Song Y

PROVIDER: S-EPMC3379105 | biostudies-literature | 2012 Jun

REPOSITORIES: biostudies-literature

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Bis(2-amino-5-methyl-1,3,4-thia-diazole-κN(3))dichloridocobalt(II).

Song Ye Y Ji Yu-Fei YF Kang Min-Yan MY Liu Zhi-Liang ZL

Acta crystallographica. Section E, Structure reports online 20120516 Pt 6

In the monomeric title complex, [CoCl(2)(C(3)H(5)N(3)S)(2)], the Co(II) atom is tetra-coordinated by two chloride anions and two N atoms from two monodentate 2-amino-5-methyl-1,3,4-thia-diazole ligands, giving a slightly distorted tetra-hedral stereochemistry [bond angle range about Co = 105.16 (12)-112.50 (10)°]. In the complex, the dihedral angle between the 1,3,4-thia-diazole planes in the two ligands is 72.8 (1)°. There are two intra-molecular N-H⋯Cl inter-actions in the complex unit, while ...[more]

PMID: 22719326

Similar Datasets

catena-Poly[[[bis-[2,2'-(propane-1,3-diyl-dithio)bis-(1,3,4-thia-diazole)-?N]copper(II)]-bis-[?-2,2'-(propane-1,3-diyldithio)bis-(1,3,4-thia-diazole)-?N:N]] bis-(perchlorate)].

Project description:In the title compound, {[Cu(C(7)H(8)N(4)S(4))(4)](ClO(4))(2)}(n), the Cu(II) atom, occupying a crystallographic inversion centre, is six-coordinated by six N atoms of three symmetry-related 2,2'-(propane-1,3-diyldithio)bis-(1,3,4-thia-diazole) (L) ligands in a slightly distorted octa-hedral geometry. The ligand L adopts two kinds of coordination modes in the crystal structure; one is a monodentate coordination mode and serves to complete the octa-hedral coordination of the Cu atom and the other is an N:N'-bidentate bridging mode in a trans configuration, bridging Cu atoms via translation symmetry along the b axis into a chain structure. The perchlorate ions serve as acceptors for inter-molecular C-H?O hydrogen bonds, which link the chains into a three-dimensional network.

| S-EPMC2968698 | biostudies-literature

4,4'-[(1,3,4-Thia-diazole-2,5-di-yl)bis-(thio-methyl-ene)]dibenzonitrile.

Project description:The title mol-ecule, C(18)H(12)N(4)S(3), consists of three essentially planar fragments, viz. two methyl-substituted benzonitrile rings and a substituted thia-diazole ring. The dihedral angles between the substituted benzonitrile rings and the central thia-diazole ring are 28.29?(10) and 78.83?(6)°, and the dihedral angle between the two benzonitrile rings is 72.89?(7)°.

| S-EPMC2962212 | biostudies-literature

Poly[[bis-(acetonitrile-?N)bis-[?(2)-2,2'-(methyl-enedithio)bis-(1,3,4-thia-diazole)-?N:N]copper(II)] bis-(perchlorate) acetonitrile solvate].

Project description:In the title compound, {[Cu(C(5)H(4)N(4)S(4))(2)(C(2)H(3)N)(2)](ClO(4))(2)·C(2)H(3)N}(n), the Cu(II) atom occupies a crystallographic inversion centre and is six-coordinated by six N atoms of four symmetry-related 2,2'-(methyl-enedithio)bis-(1,3,4-thia-diazole) (L) ligands and two acetonitrile mol-ecules in a slightly distorted octa-hedral geometry. The ligand L adopts an N:N'-bidentate bridging mode in a trans configuration, bridging the Cu atoms via translation symmetry, forming a two-dimensional layer-like structure. The perchlorate ions serve as acceptors for inter-molecular C-H?O hydrogen bonds, which link the layers into a three-dimensional network. The ClO(4) (-) anion is disordered with an occupation ratio of 0.658:0.342.

| S-EPMC2968791 | biostudies-literature

Crystal structure of tetra-?-acetato-bis-[(5-amino-2-methyl-sulfanyl-1,3,4-thia-diazole-?<i>N</i> <sup>1</sup>)copper(II)].

Project description:The reaction of 2-methyl-thio-5-amino-1,3,4-thia-diazole (Me-SNTD; C3H5N3S2) with copper(II) acetate monohydrate [Cu(OAc)2·H2O; C4H8CuO5] resulted in the formation of the title binuclear compound, [Cu2(C2H3O2)4(C3H5N3S2)2] or [Cu2(OAc)4(Me-SNTD)2]. The structure has triclinic (P ) symmetry with a crystallographic inversion centre located at the midpoint of the line connecting the Cu atoms in the dimer. These two Cu atoms of the dimer [Cu?Cu = 2.6727?(6)?Å] are held together by four carboxyl-ate groups. Each Cu atom is further coordinated to the N atom of an Me-SNTD mol-ecule and exhibits a Jahn-Teller-distorted octa-hedral geometry. The dimers are connected into infinite chains by hydrogen bonds between the NH (Me-SNTD) and the carboxyl-ate groups of neighbouring mol-ecules, generating an R 2 2(12) ring motif. The mol-ecules are further linked by C-H?? inter-actions between the thia-diazole rings and the methyl groups of the acetate units.

| S-EPMC6690473 | biostudies-literature

Bis(2-amino-pyridinium) 5,5'-disulfanediylbis(1,3,4-thia-diazole-2-thiol-ate) monohydrate.

Project description:In the crystal of the title compound, 2C(5)H(7)N(2) (+)·C(4)N(4)S(6) (2-)·H(2)O, inter-molecular N-H?S and N-H?N hydrogen bonds link four cations and two dianions into a centrosymmetric cluster. The crystal packing is further consolidated by ?-? inter-actions between the five- and six-membered rings of neighbouring clusters [centroid-centroid distances = 3.692?(3), 3.718?(3), 3.660?(3) and 3.696?(3)?Å] and via O-H?N, O-H?S and N-H?O hydrogen bonds involving the uncoordinated water mol-ecules.

| S-EPMC3100049 | biostudies-literature

trans-Diaqua-bis-[2,5-bis-(pyridin-2-yl)-1,3,4-thia-diazole]nickel(II) bis-(tetra-fluoridoborate).

Project description:The bidentate 1,3,4-thia-diazole ligand, namely, 2,5-bis-(2-pyrid-yl)-1,3,4-thia-diazole (denoted L), untested as a polydentate ligand, has been found to form the monomeric title complex, [Ni(C(12)H(8)N(4)S)(2)(H(2)O)(2)](BF(4))(2). The complex shows an octa-hedral environment of the nickel cation in which the Ni(2+) ion is located on a center of symmetry, linked to two ligands and two water molecules. In this 1:2 complex (one metal for two organic ligands) each thia-diazole ligand uses one pyridyl and one thia-diazole N atom for chelate binding. In the second pyridyl substituent, the N atom is oriented towards the same direction as the S atom of the 1,3,4-thiadiazole ring. The mean plane of the thia-diazole and pyridyl rings linked to the nickel cation forms a dihedral angle with the other pyridine ring of 18.63?(8)°. The tetra-fluorido-borate ions can be regarded as free anions in the crystal lattice. Nevertheless, they are involved in an infinite two-dimensional network parallel to ([Formula: see text]01) through O-H?F hydrogen bonds.

| S-EPMC3212138 | biostudies-literature

trans-Diaqua-bis-[2,5-bis-(pyridin-2-yl)-1,3,4-thia-diazole]cobalt(II) bis-(tetra-fluoridoborate).

Project description:The bidentate 1,3,4-thia-diazole ligand substituted by two 2-pyridyl rings (denoted L) has been found to produce the new monomeric title complex, [Co(C(12)H(8)N(4)S)(2)(H(2)O)(2)](BF(4))(2). The thia-diazole and pyridyl rings surrounding the Co atom are almost coplanar [dihedral angle = 4.35?(7)°]. The mean plane defined by these heterocyclic moieties makes a dihedral angle of 18.72?(6)° with the non-coordinated pyridyl ring. The Co(2+) cation, located at a crystallographic center of symmetry, is bonded to two ligands and two water mol-ecules in a trans configuration in an octa-hedral environment. The tetra-fluorido--borate ions can be regarded as free anions in the crystal lattice. Nevertheless, they are involved in an infinite two-dimensional network along the [010] and [101] directions of O-H?F hydrogen bonds.

| S-EPMC3151744 | biostudies-literature

3-Methyl-5-methyl-sulfanyl-1,3,4-thia-diazole-2(3H)-thione.

Project description:The title compound, C(4)H(6)N(2)S(3), has two very similar mol-ecules per asymmetric unit. The nine non-H atoms in each mol-ecule are coplanar, both having comparable r.m.s. deviations of 0.002?Å. The main inter-est in the rather simple structure resides in a survey of very weak (in some cases, borderline) non-bonding inter-actions of various kinds, viz. S?S, C-H??, ?-? [centroid-centroid distance = 3.8958?(13)?Å] and C-S?? [3.7271?(11)?Å], which act as the major driving force for the arrangement of mol-ecules in the structure. The role of long, though highly directional, S?S contacts (d > 3.60?Å), and their relevance to the stability of the structure is discussed.

| S-EPMC3470395 | biostudies-literature

Sodium 5-amino-1,3,4-thia-diazole-2-thiol-ate dihydrate.

Project description:There are two 5-amino-1,3,4-thia-diazole-2(3H)-thiolate anions in the asymmetric unit of the title compound, Na(+)·C(2)H(2)N(3)S(2) (-)·2H(2)O, which are almost perpendicular to each other [dihedral angle = 84.64 (6)°]. The two Na(+) cations are in distorted fourfold coordinations by O atoms of the water molecules. The crystal structure is stabilized by N-H⋯S, O-H⋯N and O-H⋯S hydrogen bonds.

| S-EPMC2980096 | biostudies-literature

2,5-Bis[(3-chloro-benz-yl)sulfan-yl]-1,3,4-thia-diazole.

Project description:The complete mol-ecule of the title compound, C(16)H(12)Cl(2)N(2)S(3), is generated by crystallographic twofold symmetry, with the S atom of the thiadiazole ring lying on the rotation axis. The dihedral angle between the mean planes of the 1,3,4-thia-diazole and benzene rings is 87.19?(7)°. In the crystal, mol-ecules are linked by C-H?N inter-actions and short S?S contacts [3.3389?(9)?Å] occur.

| S-EPMC3379226 | biostudies-literature

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