Crystal Structure of L-arginine Fluoroborate

The title compound C_6H(15)N_4O_2·BF_4, Mr=262.03,crystallized in orthorhombic belonging to space group P2_12_12_1,a=5.050(2),b=13.619(6),c=16.470(3)A.V=1133(1)A;Z=4 ;Dc=1. 536 gcm-3,F(000)=544,μ=1.462 cm￣(-1)(MoKα).The final R=0.082 and Rw=0. 081 for 673 independent observed reflections with I≥3σ(Ⅰ).The title compound is a 1:1 ionic complex of L-arginine and fluoroborate,and both the amino and guanidyl groups of L-arginine are protonated. There are a lot of hydrogen bonds in this crystal which link the discrete L-arginine and fluoroborate to form a three-dimensional network.

Crystal Structure of Ethanolamine 5-Nitrosalicylic Acid Organic Adduct

The title adduct (C18H24N4O12, Mr = 488.41) crystallizes in monoclinic, space group P21/c with a = 4.0514(19), b = 25.193(11), c = 10.751(5) ?, β = 95.070(8)o, V = 1093.0(9) ?3, Z = 4, Dc = 1.484 g/cm3, F(000) = 512, μ(MoKα) = 1.26 cm-1, T = 293 K, the final R = 0.0593 and wR = 0.0862 for 956 observed reflections with I > 2σ(I). The compound is a 1:1 adduct of ethanolamine and 5-nitrosalicylic acid. The nitrogen atom of ethanolamine is protonated. In this crystal there exist a number of hydrogen bonds which link the ethanolamine and 5-nitrosalicylic acid molecules to form a three-dimensional infinite network structure.

A Neutron Diffraction Study for the Crystal Structure of the Deuterium（hydrogen） L－Arginine Phosphate Monohydrate

The crystal structure of the deuterium(hydrogen) L-arginine phosphate monohydrate D(H)LAP has been determined by neutron diffraction technique.[( D2N)2CND (CH2)3CH (ND3)CO2]+·[D2PO4]1-·D2O,Mr=302.3,monoclinic space group P21,Z=2,α=10.843(3),b=7.913(2),c=7.321(2),β=97.99(3)°,V=622.0(3),Dc=1.602 g/cm3.All atoms were located by block diagonal matrix least-squares technique.A final Rf value of 0.048 was obtained for 1040 observed independent reflections.The crystal structure consists of alternate layers of phosphate groups and arginine molecules stacked along the axis a and held together by hydrogen bonds.

Synthesis and Structure of 4，5－bis（2，4－Dinitrophenylthio）－1，3－Dithiole－2－Thione

The title compound 4, 5-bis ( 2,-dinitrophenylthio )-1, 3-dithiole-2-thione [C3S5(C6H3N2O4)2] crystallizes in the orthogonal system, space group P212121,with a=10. 134(3) , b=20. 488(4), c=9. 656(3)A , V=2005. 1 A3, D_c=1. 76 g/cm￣3 , Z=4, M.=530. 56, λ=0. 71069 A, F(000)= 1072 , μ=6.1 cm￣(-1), T=296K.Final R= 0. 038, R.= 0. 045 for 1799 reflections with I≥3.5σ(I). In this nonplanar neutral molecule both nitrobenzol rings are approximately perpendicular to the dithiole ring with an asymmetric configuration.

Syntheses and Characterization of Several Copper-halo Clusters

The hydrothermal reaction of CuBr2 and CuBr with phen·H2O （phen= 1,10-phenanthroline） in a molar ratio of 1：1：1.5 gave birth to the first copper-halo cationic cluster [Cu2^Ⅱ Cu2^Br4 （phen）4 ] ^2＋（1） with tetranuclear anionic cluster [Cu4Br6]^2-. Changing the precursors or their molar ratios, two mononuclear complexes [Cu（phen）2Br]Br·H2O （2） and [Ni（phen）3][CuCl2]2 （3） as well as two unusual copper-halo chains found in polymers [Cu2Br2（phen）]∞ （4） and [Cu^ⅡCu3^ⅠBr2Ⅰ3 （phen）2 ]∞ （5） were obtained. The （Cu2Br2）∞ chain of 4 looks like a linearar ray of hexagons based on fused Cu3Br3 units, and the linear （Cu3Ⅰ3Br^-）∞ chain of 5 is an alternate combination of the rhombic Cu2I2 cores and the Cu4I4Br2^2- units. In addition, the hydrothermal reaction of CuBr2 with NA（NA=nicotinic acid） or INA （INA =isonicotinic acid） resulted in the syntheses of two compounds [CuBr（NA）] （6） and [CuBr（INA）]∞（7） containing staircase chain. Among them the third-order non-linear optical properties of 2, 5, 6 and 7 were investigated and all exhibit the reverse saturable absorption （α2〉0） and self-defocusing performance （n2〈0）.