Chlorido[1H-1,2,4-triazole-5(4H)-thione-κS]bis­(triphenyl­phosphane-κP)copper(I) acetronitrile monosolvate

In the title solvate, [CuCl(C₂H₃N₃S)(C₁₈H₁₅P)₂]·CH₃CN, the Cu^I ion is bonded to two triphenyl­phosphane ligands, one 1H-1,2,4-triazole-5(4H)-thione ligand via its S atom and one chloride ion in a distorted CuP₂SCl tetra­hedron. An intra­molecular N—H...Cl hydrogen bond, which closes an S(6) ring, helps to establish the conformation of the complex. In the crystal, N—H...Cl hydrogen bonds and C—H...π inter­actions link the components, generating (110) layers.

Bis[μ-bis­(diphenyl­phosphan­yl)methane-κ²P:P′](μ-1-ethyl­thio­urea-κ²S:S)bis­[iodidocopper(I)] acetonitrile sesquisolvate

In the dinuclear title compound, [Cu₂I₂(C₃H₈N₂S)(C₂₅H₂₂P₂)₂]·1.5CH₃CN, each Cu^I atom exhibits a distorted tetra­hedral coordination with two P atoms from two bis­(diphenyl­phosphan­yl)methane (dppm) ligands, one metal-bridging S atom from the 1-ethyl­thio­urea (ettu) ligand and one iodide ion. The dppm ligand and the bridging S atom of the ettu ligand force the two copper atoms into close proximity, leading to the formation of a close intra­molecular Cu...Cu contact [3.3747 (17) Å]. The conformation of the dimeric complex is such that the two dppm ligands are located on one side of the dinuclear metal complex, while the two iodine atoms are pointed towards the other side of the complex, a conformation that is stabilized by two intra­molecular N—H...I hydrogen bonds between the ettu NH₂ and NHEt moieties and the I atoms. Another pair of symmetry-equivalent N—H...I hydrogen bonds is established between neighboring mol­ecules across an inversion center, linking mol­ecules into dimers. The dimers are connected with each other and with the inter­stitial acetonitrile solvent mol­ecules via a range of weaker C—H...I and C—H...S inter­actions and through weak C—H...π inter­actions, leading to the formation of a three-dimensional network. One of the acetonitrile solvent mol­ecules is disordered in a 1:1 ratio across a crystallographic inversion center.

Di-μ-thio­semicarbazide-κ⁴S:S-bis­[chlori­dobis(triphenyl­phosphane-κP)silver(I)]

The dinuclear title complex, [Ag₂Cl₂(CH₅N₃S)₂(C₁₈H₁₅P)₂], lies across an inversion center. The Ag^I ion exhibits a slightly distorted tetra­hedral coordination geometry formed by a P atom from a triphenyl­phosphane ligand, two metal-bridging S atoms from thio­semicabazide ligands and one chloride ion. The S atoms bridge two symmetry-related Ag^I ions, forming a strictly planar Ag₂S₂ core with an Ag...Ag separation of 2.7802 (7) Å. There is an intra­molecular N—H...Cl hydrogen bond. In the crystal, N—H...Cl and N—H...S hydrogen bonds link complex mol­ecules, forming layers parallel to (001). These layers are connected through π–π stacking inter­actions [centroid–centroid distance = 3.665 (2) Å], leading to the formation of a three-dimensional network.

(anti-Chlorido­thio­semicabazide-κS)bis­(tri­phenyl­phosphane-κP)copper(I) 0.48-hydrate

In the mononuclear title complex, [CuCl(CH₅N₃S)(C₁₈H₁₅P)₂]·0.48H₂O, the Cu^I ion is in a slightly distorted tetra­hedral coordination geometry formed by two P atoms from two tri­phenyl­phosphane ligands, one S atom from a thio­semicarbazide ligand and one chloride anion. An intra­molecular N—H...N hydrogen bond [graph-set motif S(5)] stabilizes the thio­semicarbazide ligand in its anti conformation, and an intra­molecular N—H...Cl hydrogen bond between the hydrazine N—H group and the chloride anion influences the arrangement and orientation of the ligands around the metal center. A weak intra­molecular C—H...Cl hydrogen bond is also present. In the crystal, complex mol­ecules are connected through N—H...Cl hydrogen bonds originating from the amide –NH₂ group, and through O—H...S and O—H...Cl hydrogen bonds involving the solvent water mol­ecule. Both the direct N—H...Cl hydrogen bonds as well as the bridging hydrogen bonds mediated by the water mol­ecule connect the complex mol­ecules into zigzag chains that propagate along [010]. The solvent water mol­ecule is partially occupied, with a refined occupancy of 0.479 (7).

catena-Poly[silver(I)-bis­[μ-4-methyl-1H-1,2,4-triazole-3(4H)-thione-κ²S:S]-silver(I)-di-μ-thio­cyanato-κ²S:N;κ²N:S]

In the title one-dimensional coordination polymer, [Ag₂(NCS)₂(C₃H₅N₃S)₂]_n, the Ag^I atom adopts a distorted tetra­hedral AgNS₃ geometry. Adjacent Ag^I atoms in the [001] chain are alternately linked by pairs of bridging 4-methyl-1H-1,2,4-triazole-3(4H)-thione (Hmptrz) ligands (via their S atoms) and double thio­cyanate bridges linking through both S and N atoms (μ-1,3-SCN). An intra­chain N—H...N hydrogen bond occurs between the NH group of the triazole ring and the N atom of the thio­cyanate bridging ligand. A (101) sheet structure arises from inter­chain S...N short contacts [3.239 (3) Å] involving the thio­cyanate S atom and the triazole-ring N atom and possible very weak π–π stacking [centroid–centroid separation = 4.0762 (18) Å] between the triazole rings.

2-Amino-5-bromo­pyridin-1-ium (2-amino-5-bromo­pyridine-κN¹)trichloridozincate

The structure of the title salt, (C₅H₆BrN₂)[ZnCl₃(C₅H₅BrN₂)], consists of discrete 2-amino-5-bromo­pyridin-1-ium cations and distorted tetra­hedral (2-amino-5-bromo­pyridine)­tri­chlorido­zincate anions. In the crystal, the complex anions and cations are linked via N—H...Cl hydrogen bonds into layers parallel to (101). Short Br...Cl contacts of 3.4239 (11) and 3.4503 (12) Å are observed, as well as π–π stacking inter­actions between the pyridine and pyridinium rings, with alternating centroid-to-centroid distances of 3.653 (2) and 3.845 (2) Å.

Di-μ-acetato-κ⁴O:O′-bis­[(1,10-phenanthroline-κ²N,N′)(tri­fluoro­methane­sulfonato-κO)copper(II)]

The complete molecule of the title compound, [Cu₂(C₂H₃O₂)₂(CF₃O₃S)₂(C₁₂H₈N₂)₂], is completed by the application of a twofold rotation and comprises two Cu^II ions, each of which is penta­coordinated by two N atoms from a bidentate 1,10-phenanthroline (phen) ligand, two O atoms from acetate ligands and an O atom from a tri­fluoro­methane­sulfonate anion, forming a (4 + 1) distorted square-pyramidal coordination geometry. The Cu^II ions are connected by two acetate bridges in a syn–syn configuration. The F atoms of the tri­fluoro­methane­sulfonate ligands are disordered, with site-occupation factors of 70 and 30. The molecular structure is stabilized by intra­molecular face-to-face π–π inter­actions with centroid–centroid distances in the range 3.5654 (12)–3.8775(12) Å. The crystal structure is stabilized by C—H...O interactions, leading to a three-dimensional lattice structure.

Bis(2,4,6-tri­amino­pyrimidin-1-ium) sulfate penta­hydrate

The asymmetric unit of the title salt, 2C₄H₈N₅⁺·SO₄²⁻·5H₂O, contains four 2,4,6-tri­amino­pyrimidinium (TAPH⁺) cations, two sulfate anions and ten lattice water mol­ecules. Each two of the four TAPH⁺ cations form dimers via N—H...N hydrogen bonds between the amino groups and the unprotonated pyrimidine N atoms [graph-set motif R₂²(8)]. The (TAPH⁺)₂ dimers, in turn, form slightly offset infinite π–π stacks parallel to [010], with centroid–centroid distances between pyrimidine rings of 3.5128 (15) and 3.6288 (16) Å. Other amino H atoms, as well as the pyrimidinium N—H groups, are hydrogen-bonded to sulfate and lattice water O atoms. The SO₄²⁻ anions and water mol­ecules are inter­connected with each other via O—H...O hydrogen bonds. The combination of hydrogen-bonding inter­actions and π–π stacking leads to the formation of a three-dimensional network with alternating columns of TAPH⁺ cations and channels filled with sulfate anions and water mol­ecules. One of the sulfate anions shows a minor disorder by a ca 37° rotation around one of the S—O bonds [occupancy ratio of the two sets of sites 0.927 (3):0.073 (3)]. One water mol­ecule is disordered over two mutually exclusive positions with an occupancy ratio of 0.64 (7):0.36 (7).