In the title compound, C5H8N3O+·ClO4 −·C5H7N3O·H2O, each perchlorate anion is paired with a protonated cationic 2-amino-6-methyl­pyrimidin-4(1H)-one and another non-protonated entity of the same organic pyrimidinone. The crystal structure is stabilized by N—H⋯Oorg, N—H⋯Owater, N—H⋯OClO4, O—H⋯OClO4, N—H⋯N and C—H⋯OClO4 hydrogen bonds between the anions, organic entities and water mol­ecules. Inter­molecular π–π stacking inter­actions between neighbouring organic rings are observed with a face-to-face distance of 3.776 (2) Å, and O—H⋯O hydrogen bonds link the perchlorate anions and the water mol­ecules into chains along the b-axis direction. The perchlorate anion and the inter­stitial water mol­ecule are disordered over two mutually incompatible positions with a common occupancy ratio of 0.678 (16):0.322 (16).

(C6H18N3)4[CuCl5]2[CuCl4]3ꞏ1.42H2O has been prepared and characterized by various physicochemical techniques. Single crystal X-ray diffraction structural analysis has revealed that the title compound belongs to the orthorhombic system with space group Cmca. Its unit cell dimensions are: a = 24.286 (2) Å, b = 14.3082 (14) Å, c = 16.6160 (16) Å, with Z = 4, V = 5773.8 (10) Å 3 and its crystal structure was determined and refined down to R= 0.024 and wR (F 2) = 0.059. The structure contains three crystallographically independent Cu 2+ ions coordinated to chlorine anions in various fashions. Cu1 is five-coordinated, in a distorted square pyramidal fashion, while Cu2 and Cu3 are tetra-coordinated in square planar and distorted tetrahedral fashions, respectively. The entities are interconnected by means of hydrogen bonding [O(W)-H…Cl, N-H…Cl, C-H…Cl and C-H…O(W)] forming a three-dimensional network. Intermolecular interactions were investigated by Hirshfeld surfaces and the contacts of the eight different chloride atoms were notably compared. The vibrational absorption bands were identified by infrared spectroscopy. The optical study was investigated by UV-vis absorption.

A new organic-inorganic hybrid material, 1-amonioethylpiperazine-1, 4-diium tetrachloridozincate(II) chloride, (C6H18N3)[ZnCl4]Cl, has been synthesized and characterized by various physicochemical techniques including UV-visible absorption, Infra-Red (IR), Raman and NMR spectroscopies. The compound crystallizes in the monoclinic system and P21 space group with Z = 2 and the following unit cell dimensions: a = 7.1728 (6), b = 12.4160 (11),

HAL is a multidisciplinary open access archive for the deposit and dissemination of scientific research documents, whether they are published or not. The documents may come from teaching and research institutions in France or abroad, or from public or private research centers. L'archive ouverte pluridisciplinaire HAL, est destinée au dépôt et à la diffusion de documents scientifiques de niveau recherche, publiés ou non, émanant des établissements d'enseignement et de recherche français ou étrangers, des laboratoires publics ou privés. Crystal and geometry-optimized structure, Hirshfeld surface analysis and spectroscopic studies of tetrachlorocuprate and nitrate salts of 1-(2-fluorophenyl)piperazine cations, (C10H15FN2)[CuCl4] (I) and (C10H14FN2)[NO3] (II)

The title new compound, (C2H6N5+)2, 2Cl−.H2O, contains two 3,5-diamino-4H-1,2,4-triazol-1-ium cations, two chloride anions and one water molecule. The crystal structure is stabilized by O - H···Cl, N - H···Cl, N - H···O and N - H···N hydrogen bonds, one of them being a three-center interaction. Strong π - π stacking interactions between neighboring triazolium rings are present, with a centroid - centroid distance of 3.338 (7) Å. The exocyclic N atoms are sp2 hybridized, as evidenced by bond lengths and angles, in agreement with an enamine-imine tautomerism. A dielectric spectroscopic study of the title compound was performed. The 13C CP-MAS NMR spectrum is in agreement with crystallographic data. The infrared spectrum has been recorded at ambient temperature and interpreted on the basis of literature data. The temperature dependence of the imaginary part of the permittivity constant was analyzed with the Cole - Cole formalism in the temperature range 325 - 375 K.