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

ABSTRACT: 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.

SUBMITTER: Bentiss F

PROVIDER: S-EPMC3151744 | biostudies-literature | 2011 Jul

REPOSITORIES: biostudies-literature

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

Bentiss Fouad F Capet Frédéric F Lagrenée Michel M Saadi Mohamed M El Ammari Lahcen L

Acta crystallographica. Section E, Structure reports online 20110604 Pt 7

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, i ...[more]

PMID: 21836842

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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.

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Project description:The title compound, [Ni(2)(C(12)H(12)N(2)O(4)S(3))(H(2)O)(4)]·2C(3)H(7)NO·3H(2)O, is made up of a centrosymmetric, bimetallic complex containing a 24-membered macrocyclic ring, two dimethyl-formamide and three water solvent mol-ecules. The Ni atom adopts a slightly distorted NiO(6) octahedral geometry arising from two O,O-bidentate ligands and two water molecules. There are inter-molecular O-H?O and O-H?N inter-actions in the crystal structure. One of the uncoordinated water molecules is diordered over two sets of sites of equal occupancy.

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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.

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Project description:The title compound, [Fe(C12H8N4S)2(CH3OH)2](ClO4)2, crystallized in the solvent-free form from a methanol solution. The Fe(II) ion is located on a centre of inversion. The distorted N4O2 octa-hedral coordination geometry is formed by two N,N'-chelating equatorial 2,5-bis-(pyridin-2-yl)-1,3,4-thia-diazole ligands and axially coordinating methanol coligands, resulting in the mononuclear trans-(N (2),N (3),O)2 coordination mode. The methanol co-ligand is involved in a hydrogen bond to the perchlorate counter-ion.

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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)°.

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2,2'-[(1,3,4-Thia-diazole-2,5-di-yl)bis-(sulfanedi-yl)]diaceto-nitrile.

Project description:In the title compound, C6H4N4S3, the 1,3,4-thia-diazole ring is essentially planar, with an r.m.s. deviation of 0.001 Å. The two N-C-S-C torsion angles in the mol-ecule are -23.41 (15) and 0.62 (14)°. One aceto-nitrile group is above the plane of the 1,3,4-thia-diazole ring and the other is below it, indicating syn and anti orientations. In the crystal, C-H⋯N hydrogen bonds link the molecules into ribbons along [010].

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Crystal structure of bis-(azido-?N)bis-[2,5-bis-(pyridin-2-yl)-1,3,4-thia-diazole-?(2) N (2),N (3)]nickel(II).

Project description:Reaction of 2,5-bis-(pyridin-2-yl)-1,3,4-thia-diazole and sodium azide with nickel(II) triflate yielded the mononuclear title complex, [Ni(N3)2(C12H8N4S)2]. The Ni(II) ion is located on a centre of symmetry and is octa-hedrally coordinated by four N atoms of the two bidentate heterocyclic ligands in the equatorial plane. The axial positions are occupied by the N atoms of two almost linear azide ions [N-N-N = 178.8?(2)°]. The thia-diazole and pyridine rings of the heterocyclic ligand are almost coplanar, with a maximum deviation from the mean plane of 0.0802?(9)?Å. The cohesion of the crystal structure is ensured by ?-? inter-actions between parallel pyridine rings of neighbouring mol-ecules [centroid-to-centroid distance = 3.6413?(14)?Å], leading to a layered arrangement of the mol-ecules parallel to (001).

| S-EPMC4384553 | biostudies-literature

Crystal structure of bis-(azido-?N)bis[2,5-bis(pyridin-2-yl)-1,3,4-thia-diazole-?(2) N (2),N (3)]cobalt(II).

Project description:In the mononuclear title complex, [Co(N3)2(C12H8N4S)2], the cobalt(II) atom is located on an inversion centre and displays an axially weakly compressed octa-hedral coordination geometry. The equatorial positions are occupied by the N atoms of two 2,5-bis-(pyridin-2-yl)-1,3,4-thia-diazole ligands, whereas the axial positions are occupied by N atoms of the azide anions. The thia-diazole and pyridine rings linked to the metal are almost coplanar, with a maximum deviation from the mean plane of 0.0273?(16)?Å. The cohesion of the crystal is ensured by weak C-H?N hydrogen bonds and by ?-? inter-actions between pyridine rings [inter-centroid distance = 3.6356?(11)?Å], forming a layered arrangement parallel to (001). The structure of the title compound is isotypic with that of the analogous nickel(II) complex [Laachir et al. (2013 ?). Acta Cryst. E69, m351-m352].

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Project description:In the title compound, [Cu(NCS)(2)(C(12)H(8)N(4)S)(2)(H(2)O)(2)]·2H(2)O, the Cu atom is located on an inversion center and displays an octa-hedral geometry. Two N atoms of two different 2,5-di-4-pyridyl-1,3,4-thia-diazole ligands and two N atoms from two separate thio-cyanate mol-ecules form the equatorial plane, while two coordinated water mol-ecules are in axial positions. The crystal structure is consolidated by extensive hydrogen bonding, forming a two-dimensional network.

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