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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]