Synthesis and Physico-Chemical Characterization of a New Non-Centrosymmetric Organic Cation Iodate

The synthesis, crystal structure and physico-chemical characterization are presented for the piperazinium bis iodate dihydrate. An X-ray investigation has shown that this compound crystallizes in a non-centrosymmetric monoclinic system, space group Pc with the lattice parameters: a = 8.969 (2) Å, b = 6.027 (3)  Å, c = 11.958 (2)  Å; V = 612.7 (3)  Å3 and Z = 2. The structure was solved from 3546 independent reflexions with R1 = 0.053 and wR2 = 0.130. I…O halogen bonds [R22(4) graph-set motif] range between 2.770 (4) and 3.108 (1) Å and connect neighboring IO-3 anions with each other so as to create a bi-dimensional layer parallel to the (b,c) plane. These layers are interconnected via N−H…O and C−H…O, to the piperazinium dication to generate a three-dimensional network

Synthesis, Crystal Structure, and Characterization of the first Organic Cation Hexaoxoperiodate

The title compound is an organic-inorganic hybrid material. The single crystal X-ray diffraction investigation reveals that the studied compound crystallizes in the monoclinic system, space group P21/c with the following lattice parameters:               𑎠= 7.551 (2) Ã…, ð‘ = 6.694 (3) Ã…, ð‘ = 14.783 (2) Ã…, β = 97.61 (2)° and ð‘ = 2. The crystal lattice is composed of a discrete (H4IO6)− anion surrounded by piperazinium cations and water molecules. Complex hydrogen bonding interactions between the different chemical spices form a three-dimensional network. Room temperature IR, 13C NMR spectroscopy, thermogravimetric analysis and optical absorption of the title compound were recorded and analyzed.Â

Preparation and Characterization of bis (4-methoxyanilinium) tetrachlorozincate

A new zinc complex of formula [C7H10NO]2 ZnCl4 has been prepared and characterized by X-ray diffraction,  IR and UV-Visible spectroscopies. The complex crystallizes in the monoclinic space group P21/n with a minimal tetrahedral distortion of the ZnCl42- ion and with lattice parameters: a =12.054 (2) Å, b =7.129 (3) Å, c =23.480 (2) Å, β = 100.67 (2)°, V = 1983.03 (1) Å3 and Z = 4. The crystal structure was solved and refined to R = 0.080 and RW = 0.227 with 9611 independent reflections. It can be described by organic layers of p-anisidinium cations held together by C-H…O hydrogen bonds parallel to (010) plane, linked to the inorganic groups of ZnCl42- anions through N-H…Cl hydrogen bonds, electrostatic and Van Der Waals interactions, to form a three-dimensional network

Synthesis, crystal structure and spectroscopic characterization of a new organic bismuthate (III) [C9H28N4][Bi2Cl10].H2O

The chemical preparation, crystal structure and spectroscopic characterization of [C9H28N4][Bi2Cl10].H2O have been reported. This compound crystallizes in the monoclinic system in space group P21/c and cell parameters a = 12.2385 (6), b = 17.3062 (7), c = 13.0772 (6) Å, β = 104.475 (5)°, Z = 4 and V = 2681.9 (2) Å3. Its crystal structure has been determined and refined to R = 0.049, using 5848 independent reflections. The atomic arrangement can be described by an alternation of organic and inorganic layers. The inorganic layer built up of [Bi2Cl10]4– bioctahedra arranged in sandwich between the organic layer. The organic groups are interconnected by the water molecules through N-H…O(W) hydrogen bonds to form infinite zig-zag chains spreading along the b-axis. These Chains are themselves interconnected by means of the N–H…Cl hydrogen bonds originating from [Bi2Cl10]4– anions, to form a three-dimensional network. Intermolecular Cl…Cl interactions between adjacent dimeric [Bi2Cl10]4– anions have been observed. The compound was also characterized by FT-IR and Raman spectrscopies

Synthesis, Crystal Structure, and Characterization of the first Organic Cation Hexaoxoperiodate

The title compound is an organic-inorganic hybrid material. The single crystal X-ray diffraction investigation reveals that the studied compound crystallizes in the monoclinic system, space group P21/c with the following lattice parameters:               𑎠= 7.551 (2) Ã…, ð‘ = 6.694 (3) Ã…, ð‘ = 14.783 (2) Ã…, β = 97.61 (2)° and ð‘ = 2. The crystal lattice is composed of a discrete (H4IO6)− anion surrounded by piperazinium cations and water molecules. Complex hydrogen bonding interactions between the different chemical spices form a three-dimensional network. Room temperature IR, 13C NMR spectroscopy, thermogravimetric analysis and optical absorption of the title compound were recorded and analyzed.Â

Crystalline and Molecular Structure of Hexaaqua-1,3-diammoniumpropane Cobalt(II) Nitrate, Co(H2O) 6 [C3H12N2] (NO3)4

Chemical preparation and x-ray characterization of a new compound hexaaqua-1,3-diammoniumpropane cobalt(II) nitrate, Co(H2O) 6 [C3H12N2] (NO3)4 are reported. This mixed organo-mineral compound crystallizes in the orthorhombic system with Cmcm space group. The unit cell dimensions are: a = 10.795(7), b = 11.969(4), c = 14.685(5) Å, Z = 4 and V = 1897.5(12) Å3. The structure was solved using the direct method and refined to reliability R-factor of 0.036 using 2554 independent reflections. In this atomic arrangement the different species built a three-dimensional network

Synthesis and Characterization of Tetrakis(4-oxo-piperidinium ethylene acetal) Bis Sulfate Hexahydrate

Chemical preparation, x-ray characterization, IR spectroscopy and thermal analysis of a new sulfate (C7H12O2NH2)4(SO4)2.6H2O, are reported. The atomic arrangement can be described by layers formed by sulfate anions (SO -24) and water molecules connected by hydrogen bonds O-H…O. These inorganic layers are developed around ab planes at z = 0 and z = 1/2 and are interconnected by the H-bonds created by organic groups. All the hydrogen bonds, the Van der waals contacts and electrostatic interactions between the different entities give rise to a three-dimensional network in the structure and add stability to this compound. The thermal behaviour and the IR spectroscopic studies of this new sulfate are discussed

Hydrothermal Synthesis, Structural and Optical Elucidation with Hirshfeld Surface Analysis of a Bioactive Hybrid Compound Based Mixed-Metal Cluster Anion [V2W4O19]4−

A mixed-metal Lindqvist-type heteropolyanion of organic cation; (C8H14N2)2[V2W4O19]⋅2H2O (m-XDAV2W4) has been synthesized hydrothermally and characterized by means ICP and elemental analysis, X-ray diffraction, IR, UV–Vis, luminescence and biological analyses. The X-ray structural analysis supported by a detailed Hirshfeld surface analysis and fingerprint plots has been elucidated the different inter-contacts in the crystal structure mainly associated with O…H/H…O close contacts between [V2W4O19]4− (V2W4) clusters, water molecules and m-xylylenediammonium entities so stabilizing the 3D-supramolecular structure. The optical survey reveals an important HOMO–LUMO band gap indicating stability and blue luminescent behavior of reported material. Moreover, the biological trials indicated that this compound displays promising antibacterial and antifungal activities. © 2016, Springer Science+Business Media New York