RESUMEN
The structure of the new salt 1-(o-tolyl)biguanidium chloride, C9H14N5+·Cl-, has been determined by single-crystal X-ray diffraction. The salt crystallizes in the monoclinic space group C2/c. In this structure, the chloride and biguanidium hydrophilic ions are mostly connected to each other via N-H...N and N-H...Cl hydrogen bonds to form layers parallel to the ab plane around y = 1/3 and y = 2/3. The 2-methylbenzyl groups form layers between these layers around y = 0 and y = 1/2, with the methyl group forming C-H...π interactions with the aromatic ring. Intermolecular interactions on the Hirshfeld surface were investigated in terms of contact enrichment and electrostatic energy, and confirm the role of strong hydrogen bonds along with hydrophobic interactions. A correlation between electrostatic energy and contact enrichment is found only for the strongly attractive (N-H...Cl-) and repulsive contacts. Electrostatic energies between ions reveal that the interacting biguanidium cation pairs are repulsive and that the crystal is maintained by attractive cation...Cl- dimers. The vibrational absorption bands were identified by IR spectroscopy.
RESUMEN
In the title compound, [Mg(C3H3N2)4(H2O)2]Cl2, the Mg(II) cation lies on a crystallographic inversion centre and is coordinated by two water mol-ecules and four N-atom donors from monodentate imidazole ligands, giving a slightly distorted octa-hedral stereochemistry. In the crystal, water O-Hâ¯Cl and imidazole N-Hâ¯Cl hydrogen bonds give rise to a three-dimensional structure.
RESUMEN
In the title compound, C(5)H(8)N(3)O(+)·ClO(4) (-)·C(5)H(7)N(3)O·H(2)O, each perchlorate anion is paired with a protonated cationic 2-amino-6-methyl-pyrimidin-4(1H)-one and another non-protonated entity of the same organic pyrimidinone. The crystal structure is stabilized by N-Hâ¯O(org), N-Hâ¯O(water), N-Hâ¯O(ClO4), O-Hâ¯O(ClO4), N-Hâ¯N and C-Hâ¯O(ClO4) hydrogen bonds between the anions, organic entities and water mol-ecules. Inter-molecular π-π stacking inter-actions between neighbouring organic rings are observed with a face-to-face distance of 3.776â (2)â Å, and O-Hâ¯O hydrogen bonds link the perchlorate anions and the water mol-ecules into chains along the b-axis direction. The perchlorate anion and the inter-stitial water mol-ecule are disordered over two mutually incompatible positions with a common occupancy ratio of 0.678â (16):0.322â (16).
RESUMEN
In the title compound, [Cd(NO(3))(2)(C(5)H(7)N(3)O)(2)], the Cd(II) atom is eight-coordinated by two amine N atoms and two O atoms from two zwitterionic, biodentate 2-amino-6-methyl-pyrimidin-1-ium-4-olate ligands and by four O atoms from two nitrate groups. Intra-molecular N-Hâ¯O hydrogen bonds occur. The crystal packing is stabilized by inter-molecular N-Hâ¯O and C-Hâ¯O hydrogen bonds, two of which are bifurcated, between the nitrate anions and the organic groups.
RESUMEN
In the title compound, [CdCl(2)(C(5)H(7)N(3)O)(2)], the Cd(II) atom is six-coordinated by two heterocyclic N atoms [Cd-N = 2.261â (2) and 2.286â (2)â Å] and two O atoms [Cd-O = 2.624â (2) and 2.692â (2)â Å] from two bidentate chelate 2-amino-6-methyl-pyrimidin-4(1H)-one ligands and two chloride ions [Cd-Cl = 2.4674â (6) and 2.4893â (7)â Å]. The crystal packing is characterized by an open-framework architecture with the crystal packing stabilized by inter-molecular N-Hâ¯Cl and N-Hâ¯O hydrogen bonds.
RESUMEN
In the title compound, C(11)H(18)N(2) (2+)·2ClO(4) (-)·H(2)O, one perchlor-ate anion is disordered over two orientations in a 0.66â (3):0.34â (3) ratio. Inter-molecular O-Hâ¯O, N-Hâ¯O and C-Hâ¯O hydrogen bonds link the cations, anions and water mol-ecules into ribbons extending along [100].
RESUMEN
In the title compound, [ZnCl(HPO(4))](C(5)H(8)NO), polymeric inorganic layers constructed from ZnO(3)Cl and PO(4) tetra-hedra are linked by O atoms: O-Hâ¯O hydrogen bonds occur within the layers. The organic cations occupy the interlayer regions and interact with the layers by way of N-Hâ¯O, N-Hâ¯Cl, and C-Hâ¯Cl hydrogen bonds.
RESUMEN
In the title compound, [Cu(ClO(4))(2)(C(12)H(8)N(2))(H(2)O)(2)], the Cu(II) atom is coordinated in a square-planar fashion by the two N atoms of a chelating 1,10-phenanthroline ligand and by two water mol-ecules 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 CuN(2)O(4) octa-hedral environment. The crystal packing is stabilized by O-Hâ¯O hydrogen bonds between the water mol-ecules and the perchlorate anions. In addition, the organic mol-ecules are associated by π-π stacking inter-actions between symmetry-equivalent anti-parallel non-nitro-gen aromatic rings, with inter-planar distances of 3.543â (2)â Å.