Crystal structure of bis[2,5-bis(pyridin-2-yl)-1,3,4-thiadiazole-κ2N2,N3]bis(thiocyanato-κS)copper(II)

The mononuclear title complex, [Cu(SCN)2(C12H8N4S)2], was obtained by the reaction of 2,5-bis(pyridin-2-yl)-1,3,4-thiadiazole and potassium thiocyanate with copper(II) chloride dihydrate. The copper cation lies on an inversion centre and displays an elongated octahedral coordination geometry. The equatorial positions are occupied by the N atoms of two 2,5-bis(pyridin-2-yl)-1,3,4-thiadiazole ligands, whereas the axial positions are occupied by the S atoms of two thiocyanate anions. The thiadiazole and the pyridyl rings linked to the metal are approximately coplanar, with a maximum deviation from the mean plane of 0.190 (2) Å. The cohesion of the crystal structure is ensured by weak C—H...N hydrogen bonds and π–π interactions between parallel pyridyl rings of neighbouring molecules [centroid-to-centroid distance = 3.663 (2) Å], leading to a three-dimensional network

Crystal structure of bis(azido-κN)bis[2,5-bis(pyridin-2-yl)-1,3,4-thiadiazole-κ2N2,N3]nickel(II)

Reaction of 2,5-bis(pyridin-2-yl)-1,3,4-thiadiazole and sodium azide with nickel(II) triflate yielded the mononuclear title complex, [Ni(N3)2(C12H8N4S)2]. The NiII ion is located on a centre of symmetry and is octahedrally 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 thiadiazole 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 π–π interactions between parallel pyridine rings of neighbouring molecules [centroid-to-centroid distance = 3.6413 (14) Å], leading to a layered arrangement of the molecules parallel to (001)

2-[5-(Pyridin-2-yl)-1,3,4-thiadiazol-2-yl]pyridin-1-ium perchlorate

The cation of the title molecular salt, C12H9N4S+·ClO4−, is approximately planar, with the pyridine and pyridinium rings being inclined to the central thiadiazole ring by 6.51 (9) and 9.13 (9)°, respectively. The dihedral angle between the pyridine and pyridinium rings is 12.91 (10)°. In the crystal, the cations are linked by N—H...O and C—H...O hydrogen bonds, involving the perchlorate anion, forming chains propagating along the [100] direction. The chains are linked by weak offset π–π interactions [inter-centroid distance = 3.586 (1) Å], forming layers parallel to the ab plane

Bis[μ-2,5-bis(pyridin-2-yl)-1,3,4-thiadiazole-κ4N2,N3:N4,N5]bis[(nitrato-κO)silver(I)] tetrahydrate

The self-assembly of an angular 2,5-bis(pyridin-2-yl)-1,3,4-thiadiazole ligand (L) with silver nitrate (AgNO3) produced a new dinuclear silver(I) coordination complex, [Ag2(C12H8N4S)2(NO3)2]·4H2O, which crystallizes with two Ag atoms bridged by two L ligands. The Ag atom is surrounded by four N atoms of L and by one O from the nitrate anion defining a distorted square pyramid. The atoms comprising the dication are nearly coplanar, with an r.m.s. deviation of 0.1997 Å. Molecules are linked by C—H...O and O—H...O hydrogen bonds through nitrate anions and water molecules, forming a two-dimensional porous network. The overall structure involves stacking of Ag complex layers along the b axis. The cohesion in the three-dimensional architecture is ensured by O...Ag interactions

Novel CuI coordination polymer self-assembled from 2,5-bis(pyridin-4-yl)-1,3,4-oxadiazole and thiocyanate ions: Synthesis, structural characterization, Hirshfeld surface analysis, thermal and magnetic studies

International audienceThe synthesis and crystal structure of one-dimensional (1-D) coordination polymer from an angular dipyridyl ligand 2,5-bis(pyridine-4-yl)-1,3,4-oxadiazole (4-pox) and CuCl 2 2H 2 O, [Cu I (4-poxH)(SCN)(μ 1,3-SCN)] n (named complex 1), are reported. The investigated copper(I) complex crystallizes in the monoclinic crystal system with space group P 2 1 / n. UV-vis and FTIR suggest the co-presence of the 4-pox ligand and the pseudohalide, in the isolated complex. This was confirmed by a crystallographic study which shows that the copper is in a tetrahedral environment, linked to two thiocyanate groups and to two nitrogen atoms, one belonging to the pyridine ring and the others to thiocyanate group. The crystallographic study also reveals the protonation of the unbound organic ligand pyridine. The crystal cohesion is assured by different intermolecular hydrogen bonds, π-π stacking, and coordination bonds (N-Cu and S-Cu). Therefore, the one-dimensional coordination chains are further interconnected by hydrogen bonds and π-π stacking to from a three-dimensional supramolecular framework. This behaviour was confirmed by Hirshfeld surface analysis. The thermal analysis reveals that complex 1 is thermally stable up to 160 °C. The magnetic measurements indicated the diamagnetic nature of this Cu I coordination polymer

New Cobalt(II) and Copper(II) Thiocyanate Complexes of 2,5‐Bis(pyridin‐2‐yl)‐1,3,4‐oxadiazole Ligand: Synthesis, Crystal Structures, Spectral Properties and Hirshfeld Surface Analysis

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First mixed-valence Cu II /Cu I coordination polymer based on 2,5-bis(pyridine-2-yl)-1,3,4-thiadiazole and thiocyanate: Synthesis, structural characterization and antimicrobial in vitro activity assessment

International audienceWhile this new polymer exhibited a noticeable activity against the phytopathogenic bacteria Agrobacterium tumefaciens no significant activity was recorded against Pseudomonas syringae pv. syringae and Pseudomonas syringae pv. tobacco nor against the phytopathogenic fungi Verticillium dahlia and Fusarium oxysporum fsp. melonis

Cobalt(II) coordination complex with 2,5-bis(pyridine-2-yl)-1,3,4-thiadiazole and thiocyanate as co-ligand: Synthesis, crystal structure, Hirshfeld surface analysis, spectroscopic, thermal and magnetic properties

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A new homobimetallic cobalt(II) complex based on the tetradentate 3,5-bis(2-pyridyl)-1H-1,2,4-triazole ligand: Synthesis, crystal structure, Hirshfeld analysis, spectroscopic characterization, magnetic properties and antimicrobial activities

International audienceA novel homobimetallic cobalt(II) complex, [Co2(bpt)2(H2O)4](NO3)2.2H2O (bpt = 3,5-bis(2pyridyl)-1,2,4-triazolate), has been synthesized and characterized by single crystal X-ray diffraction, Hirshfeld surface analysis, as well as UV-Visible, and FTIR techniques. The crystal structure determination shows that the dinuclear complex crystallizes in triclinic crystal system with P1 ̅ space group. The (N',N 1 ,N 2 ,N'')2 double bridging coordination mode is realised with distorted octahedral N4O2-coordinated cobalt. The structure cohesion is ensured by different intermolecular hydrogen bonds, π-π stacking interactions and by intermolecular lone-pair•••π interactions. The structure consists of dimeric units [Co2(bpt)2] 2+ with a cobalt-cobalt distance of 4.170(2) Å. Magnetic measurements carried out on the homobimetallic complex indicate a relatively weak antiferromagnetic interaction between the two cobalt centres. This complex exhibited antimicrobial activity against several strains of the fungal phytopathogens Verticillium dahliae and Fusarium oxysporum fsp. melonis as well as against the phytopathogenic bacteria Agrobacterium tumefaciens, suggesting its use in crop protection