Kamel Kaabi

Synthesis and crystal sructure of a new dihydrogenomonophosphate (4-C2H5C6H4NH3)H2PO4

Chemical preparation, crystal structure, calorimetric, and spectroscopic investigations are given for a new organic-cation dihydrogenomonophosphate, (4-C{sub 2}H{sub 5}C{sub 6}H{sub 4}NH{sub 3})H{sub 2}PO{sub 4} in the solid state. This compound crystallizes in the orthorhombic space group Pbca with the following unit cell parameters: a=8.286(3) A, b=9.660(2) A, c=24.876(4) A, Z=8, V=1991.2(7) A{sup 3}, and D{sub X}=1.442 g cm{sup -3}. Crystal structure was solved with a final R=0.054 for 3305 independent reflections. The atomic arrangement coaled described as H{sub 2}PO{sub 4}{sup -} layers between which are located the 4-ethylanilinium cations.

2-Amino-4-methyl-6-oxo-3,6-dihydro­pyrimidin-1-ium perchlorate–2-amino-6-methyl­pyrimidin-4(1H)-one–water (1/1/1)

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).

Diaqua­bis­(perchlorato)(1,10-phenanthroline)copper(II)

In the title compound, [Cu(ClO4)2(C12H8N2)(H2O)2], the CuII atom is coordinated in a square-planar fashion by the two N atoms of a chelating 1,10-phenanthroline ligand and by two water molecules trans to the N atoms. The coordination sphere of the metal atom is augmented by O atoms of two weakly bonded perchlorate anions, thus yielding a strongly distorted CuN2O4 octahedral environment. The crystal packing is stabilized by O—H⋯O hydrogen bonds between the water molecules and the perchlorate anions. In addition, the organic molecules are associated by π–π stacking interactions between symmetry-equivalent antiparallel non-nitrogen aromatic rings, with interplanar distances of 3.543 (2) Å.

Bis[2-amino-6-methyl-pyrimidin-4(1H)-one-κN,O]dichloridocadmium(II).

In the title compound, [CdCl2(C5H7N3O)2], the CdII atom is six-coordinated by two heterocyclic N atoms [Cd—N = 2.261 (2) and 2.286 (2) Å] and two O atoms [Cd—O = 2.624 (2) and 2.692 (2) Å] from two bidentate chelate 2-amino-6-methylpyrimidin-4(1H)-one ligands and two chloride ions [Cd—Cl = 2.4674 (6) and 2.4893 (7) Å]. The crystal packing is characterized by an open-framework architecture with the crystal packing stabilized by intermolecular N—H⋯Cl and N—H⋯O hydrogen bonds.

Bis(2-amino-6-methyl­pyrimidin-1-ium-4-olate-κ2N3,O)bis­(nitrato-κ2O,O′)cadmium(II)

In the title compound, [Cd(NO3)2(C5H7N3O)2], the CdII atom is eight-coordinated by two amine N atoms and two O atoms from two zwitterionic, biodentate 2-amino-6-methylpyrimidin-1-ium-4-olate ligands and by four O atoms from two nitrate groups. Intramolecular N—H⋯O hydrogen bonds occur. The crystal packing is stabilized by intermolecular N—H⋯O and C—H⋯O hydrogen bonds, two of which are bifurcated, between the nitrate anions and the organic groups.

A Hirshfeld surface analysis, crystal structure and physicochemical studies of a new Cu(II) complex with the 1,10-phenanthroline ligand

Abstract The new coordination compound, [Cu(H2PO4)2(C12N2H8)H2O]·2H2O, was prepared and characterized by physico-chemical studies. In this monomeric complex, the central Cu(II) atom is in a square pyramidal environment and chelated by two nitrogen atoms of 1,10-phenanthroline, two dihydrogeno-monophosphate oxygen atoms and one water oxygen atom. Intermolecular interactions were investigated by Hirshfeld surfaces. The 31P NMR spectrum of this paramagnetic complex displays a relatively sharp peak at 2,070 ppm. The vibrational absorption bands were identified by infrared spectroscopy. Electronic properties such as HOMO and LUMO energies were derived. Graphical Abstract

Di­aqua­tetra­kis­(1H-imidazole-κN3)magnesium dichloride

In the title compound, [Mg(C3H3N2)4(H2O)2]Cl2, the MgII cation lies on a crystallographic inversion centre and is coordinated by two water molecules and four N-atom donors from monodentate imidazole ligands, giving a slightly distorted octahedral stereochemistry. In the crystal, water O—H⋯Cl and imidazole N—H⋯Cl hydrogen bonds give rise to a three-dimensional structure.

1-Benzyl­piperazine-1,4-diium bis­(perchlorate) monohydrate

In the title compound, C11H18N2 2+·2ClO4 −·H2O, one perchlorate anion is disordered over two orientations in a 0.66 (3):0.34 (3) ratio. Intermolecular O—H⋯O, N—H⋯O and C—H⋯O hydrogen bonds link the cations, anions and water molecules into ribbons extending along [100].