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C10H16Cl4N2Zn, monoclinic, P121/c1 (no. 14), a = 7.768(3) Å, b = 20.393(3) Å, c = 9.615(6) Å, β = 104.75(4)°, V = 1473.0 Å3, Z = 4, Rgt(F) = 0.023, wRref(F) = 0.035, T = 296 K.

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. [ABSTRACT FROM AUTHOR]

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. [ABSTRACT FROM AUTHOR]

Abstract: Chemical preparation, crystal structure and NMR spectroscopy of a new organic cation p-phenylenediammonium monophosphate [p-NH3C6H4NH3][H2PO4]2 are presented. This new compound crystallizes in the orthorhombic system, with the space group Pnma and the following parameters: a =7.970 (2)Å; b =22.770 (7)Å; c =7.000 (7)Å, V =1270.3 (11)Å3, Z =4 and D x =1.590gcm−3. The crystal structure has been determined and refined to R =0.043 and R (w) =0.057 using 2623 independent reflections. The structural arrangement can be described as inorganic layers of (H8P4O16)4− units, parallel to (a, c) planes. The organic groups (p-H3NC6H4NH3)2+are anchored between the phosphoric layers to form a three-dimensional infinite network. This compound is also investigated by IR and solid-state 1H, 13C and 31P MAS NMR spectroscopies. The ab initio method is used in the calculation of chemical shifts. [Copyright &y& Elsevier]

A new adduct 4-benzyl piperidinium dihydrogenphosphate monophosphoric acid [C 12 H 16 NH 2 ] 2 (H 2 PO 4 ) 2 H 3 PO 4 , has been prepared and analyzed by X-ray diffraction. This adduct compound cristallizes in the monoclinic system, with the acentric space group P2 1 and the following unit-cell parameters: a = 13.103(3), b = 8.737(4), c = 13.620(3) Å, β = 92.38(2)°, Z = 2, and V = 1557.8(7) Å[3]. The crystal structure has been solved and refined to R = 0.059 and R (w) = 0.069 using 3306 independent reflections. Its structure can be described as inorganic layers of H 3 PO 4 and H 2 PO 4 - entities separated by organic molecules. In this atomic arrangement, H-bonds between the different species play an important role in the tridimensionnel network cohesion. Solid-state 13 C and 31 P MAS NMR spectroscopies are in agreement with the X-ray structure. Ab initio calculations allow the attribution of phosphorus and carbon signals to the independent crystallographic sites and to the various atoms of the organic groups. [ABSTRACT FROM AUTHOR]

Abstract: A novel organic–inorganic hybrid complex [(2-NH2CH2C5H4N)ZnCl3] has been hydrothermally synthesized and characterized by single crystal X-ray diffraction, thermal analysis and spectroscopic studies. The compound crystallizes in the triclinic system, space group , a =7.5339(9), b =7.589(2), c =9.365(2) Å, α =104.55(2)°, β =97.22(1)°, γ =87.88(2)°, V =513.6(2), Z =2. In the title compound the 2-aminomethylpyridine acts as a ligand covalently linked to Zn(II) cation to form a slightly distorted ZnCl3N tetrahedral environment. Each [Zn(C6H8N2)Cl3] unit is connected to one neighbor by a pair of hydrogen bonds between the apical chlorides and amine hydrogen atoms and to the other by a couple of π–π stacking interactions between the aromatic rings of the coordinated ligands forming a novel one-dimensional chain-like arrangement. The title complex is the first one that contains both coordinated and hydrogen bonded 2-aminomethylpyridine. Solid state 13C and 15N CP-MAS-NMR spectroscopies are in agreement with the X-ray structure. Ab initio calculations allow the attribution of carbons and nitrogen to the independent crystallographic sites. The Raman spectroscopy confirmed the presence of Zn–Cl and Zn–N bonds. [Copyright &y& Elsevier]

A new zincophosphate [H3N(CH2)2NH3]0.5Zn (HPO4)Cl, was obtained at room temperature from a starting mixture of ZnCl2, H3PO4, H2O, and ethylene-diamine. Its unit cell is tricline P-1 (No. 2) with parameters a = 7.709(2) Å, b = 8.479(2) Å c = 5.175(2) Å, α = 104.99(3), β = 107.41(4), γ = 87.34(2), Z = 2, and V = 311.6(2) ų. Its structure is resolved to R = 0.024, Rw = 0.037. The backbone of the title compound is a linear heteroanion built by PO4 and ZnO3Cl tetrahedra assembled to farm four member rings themselves interconnected by sharing common oxygen atoms. Hydrogen bonds O--H…O established between these chains connect them as to build infinite planes. The organic entities, located between these planes form the 3D cohesion through N--H…O or N--H…Cl hydrogen bonds. [ABSTRACT FROM AUTHOR]

Chemical preparation and characterization by X-ray diffraction, IR, and NMR spectroscopies and thermal analysis of a new o-ethylphenylammonium triphosphate [2-C2H5C6H4NH3]3H2P3O10 are reported. This compound crystallizes in a monoclinic unit cell P21/n with the parameters: a=17.670(1)Å, b=8.558(8)Å, c=20.100(2) Å, β=100.39(6)°, Z=4, and V=2990(4) Å3. Crystal structure has been solved and refined to R=0.041 using 6857 independent reflections. In this atomic arrangement, layers built by H2P3O103- groups are developed along (1 0 -1) direction. Between these layers are located the o-ethylphenylammonium entities which form hydrogen bonds with some external oxygen atoms of phosphoric groups. [Copyright &y& Elsevier]

A new layered zinc-phosphate Zn(HPO4)Cl·[H3N(CH2)6NH3]0.5 was synthesized in acidic conditions at room temperature. It crystallizes in monoclinic space group C2/c (No. 15) with the lattice parameters a=21.826(3) A˚, b=9.452(7) A˚, c=8.780(1) A˚, β=109.36(8)°, V=1708.83(1) A˚3, Z=8, R=0.036, Rw=0.047. The structure of this compound is determined by X-ray diffraction and characterized with IR, TGA-DTA/DSC and NMR. The structure consists of inorganic layers, built by PO4 and ZnO3Cl tetrahedra interconnected by common oxygen atoms. The organic entities, located between these layers, perform the 3D cohesion through N&z.sbnd;H···O or N&z.sbnd;H···Cl hydrogen bonds. [Copyright &y& Elsevier]