Crystal structure of enrofloxacinium tetrabromidodichloridostannate(IV) monohydrate

A new compound EnrH₃[SnBr_3.46Cl_2.54]·H₂O, where EnrH ₃ ²⁺ is the enrofloxacinium cation (C₁₉H₂₄FN₃O ₃ ²⁺ ), is synthesized and its crystal and molecular structure is determined. Crystallographic data for enrofloxacinium tetrabromidodichloridostannate(IV) monohydrate are as follows: a = 17.1262(19) Å, b = 10.3435(11) Å, c = 17.2582(19) Å, β = 119.203(1)°, V = 2640.5(4) ų, space group P2₁/c, Z = 4. Hydrogen bonds form a branched three-dimensional network linking EnrH ₃ ²⁺ , [SnBr_3.46Cl_2.54]^2?, and water molecules. The structure is also stabilized by the π-π interaction of EnrH ₃ ²⁺ aromatic rings.     

Crystal structure of triethylammonium dicitratoborate monohydrate

Triethylammonium dicitratoborate monohydrate (C₂H₅)₃NH[(C₆H₆O₇)₂B]·H₂O (I) was synthesized for the first time. Its crystal structure was solved from single crystal X-ray diffraction data (a = 9.7821(2) Å, b = 23.2196(4) Å, c = 10.0705(2) Å; β = 90.97(1)°; Z = 4, space group P2₁/n, 5091 reflections with R _int = 0.0219; R1 = 0.0733). The structural units of crystal I (the large dicitrato borate anion with a spirane structure, the triethylammonium cation, and the crystal water molecule) form a layered packing with a system of seven O-H...O and N-H...O hydrogen bonds.     

六脲合硫酸锌的晶体结构

一些金属元素是酶及植物生长激素不可缺少的成分.若将这些金属元素与含氮、含磷的配体配位结合,可构成重要的复合肥料.尿素与锌的配合物就是其中的一种.等研究了一系列高氯酸锌与硫脲(或尿素)配合物的合成、溶解度,溶解的热效应,红外光谱及其在酸性或中性介质中对铜的腐蚀效应.其中锌离子与硫脲是以四面体形配位的.样品经元素分析为Zn[OC(NH_2)_2]_6SO_4·H_2O,其结构尚未见报道.本文讨论了它的晶体结构和特点.     

Crystal and molecular structure of 3-(2-amino-pyridinium)-propionate monohydrate

A novel betaine derivative, 3-(2-amino-pyridinium)-propionate monohydrate, has been synthesized and its structure studied by X-ray diffraction, FTIR, Raman, ¹H and ¹³C NMR spectroscopies and by DFT calculations. The crystals are monoclinic, space group P2₁/c with a=8.0800(16), b=15.242(3), c=7.1698(14) Å, β=104.30(3)° and Z=4. Each oxygen atom of the carboxylate group is engaged in two intermolecular hydrogen bonds, one with water molecule and the other with amine group. The water molecules link the molecules of 3-(2-amino-pyridinium)-propionate into planar zigzag chains along the b axis. The screening constants for ¹H and ¹³C atoms have been calculated by GIAO/B3LYP/6-31 G(d,p) and analyzed. Linear correlations between the experimental ¹H and ¹³C chemical shifts and the computed screening constants have been obtained. Raman and FTIR spectra of the title betaine have been investigated.     

Crystal and molecular structure of chlorohydroxyiminoacetamide monohydrate

Institute of Physiologically Active Substances, Academy of Sciences of the USSR. Translated from Zhurnal Strukturnoi Khimii, Vol. 31, No. 5, pp. 171–174, September–October, 1990.     

Crystal structure and physico-chemical properties of diaquabis(1,10-phenanthroline)manganese(II) disaccharinate monohydrate

A novel manganese complex, [Mn(phen)₂(H₂O)₂](sac)₂·H₂O, was synthesized by the reaction of [Mn(sac)₂(H₂O)₄]·2H₂O with 1,10-phenantroline in aqueous solution and characterized by elemental analysis, IR spectral evidence, magnetic measurements, thermal analysis and single crystal X-ray diffraction. The compound crystallizes in triclinic system, space group P-1, with Z=2. The saccharinate ions do not coordinate the central metal, instead are present as the complementary anions. In the complex cation, Mn(II) is coordinated by two phen and two aqua ligands, and exhibits a distorted octahedral coordination with a high-spin configuration. The presence of lattice and coordinate water molecules are also confirmed by thermal analysis and IR spectroscopy.     

Crystal structure of calcium cobalt(II) ethylenediaminetetraacetate pentahydrate

Journal of Structural Chemistry -     

Sparfloxacindium tetrabromidocuprate(II) monohydrate crystal structure

Structure solution has been carried out for a compound containing doubly charged sparfloxacindium cation, namely ((C₁₉H₂₄F₂N₄O₃)[CuBr₄] · H₂O (I), where C₁₉H₂₂F₂N₄O₃ is sparfloxacin. The crystals of I are orthorhombic with a = 14.533(4) Å, b = 12.557(4) Å, c = 29.370(9) Å, V = 2360(3) ų, space group Pbca, Z = 8. In compound I, unlike in similar compounds of other fluoroquinolones, the second proton is attached to the sparfloxacin through the amino nitrogen atom instead of being attached through the ketone oxygen atom. This specific protonation feature of SfH is manifested in the specifics of supramolecular organization of I.