CRYSTAL AND MOLECULAR STRUCTURE OF DIPOTASSIUM TRIS(HYDROXYACETATO)VANADYL (IV) MONOHYDRATE

<正> Preliminary information. The vanadyl complexes are found to be increasingly used in the areas of catalysis, new materials research as well as in bio chemistry. Therefore, more attentions have been paid to such compounds. The title complex K_2[VO(C_2H_3O-3)_2(C_2H_2O_3)] H_2O has been prepared by reaction of VOSO_4 with hydroxyacetic acid in aqueous solution, with KOH added to a suitable PH value.     

THE CRYSTAL AND MOLECULAR STRUCTURE OF TRIPTONIDE

<正> Triptonide, C20H22O6, was extracted from tripterygium wilfordii Hook F. of Fujian province and its structure was determined by X-ray crystallo-graphic analysis, Mr = 358. 39, monoclinic, P21,a = 11. 144(5), 6 = 6. 467(2), c= 12. 681(6)(?), β=103.54(4)°, V= 888. 4(?)3. Z = 2, F(000) = 380, Dc= 1. 34g/ cm3. The structure was solved by direct methods and refined by full matrix least-squares method to a final R value of 0. 042 for 1934 reflections with I> 3σ(I). Crystals of triptonide are isostructural with those of triptolide.     

CRYSTAL AND MOLECULAR STRUCTURE OF PALMATINE CHLORIDE PHENOL SOLVATE MONOHYDRATE

<正> The crystal of palnatine chloride phenol solVate monohydrate belongs to the triclinic, space group Cl-P1 with the unit cell parameters of a =14.781, b=11.246, c= 7.505 A,α=95.26(7)°,β=96.87(4)°,γ=94.32(4)°,and Z=2,The coordinates for all the non-hydrogen atoms were found by using direct methods and Sim weighting Fourier synthesis. The anisotropic refinement of non-hydrogen atoms and isotropic refinement of hydrogen atoms led to a final R-factor of 0.055. Solvate molecules form a relatively complex network around chloride ion.In this paper palmatine nolecule structure and the network of solvent molecules are described.     

CRYSTAL AND MOLECULAR STRUCTURE OF TRIS (HYDROX-YMETHYL) AMINOM ETHANE ARSENATE (THAMAS)

<正> (CH2OH)3CNH3H2AsO4, M, = 263. 08, monoclinic, space group P21, with a = 8. 232(2), b = 6. 180(2), c=9. 856(3)(?) , β=104. 77(2)°, Z = 2, V = 484. 81(?)3, Dc= 1. 80 g/cm3, MoKα radiation, μ = 35. 02cm-1, F(000) = 268. The final R and Rw are 0. 040 and 0. 037, respectively. The molecule of THAMAS is composed of TAMH+ and H2AsO4- which are held together by a hydrogen bond. Adjacent molecules in THAMAS crystals are connected by intermolecular hydrogen bonds.     

CRYSTAL AND MOLECULAR STRUCTURE OF RABDOSERRIN-B

<正> INTRODUCTION. Four compounds of diterpenoids that have in vitro cytotoxity against cultured Hala cells have been obtained by means of extraction from Rabdosia serra(Maxim) Hara, a chinese medical herb. They are Rabdoserrin A (Rab A), Rabdoserrin B (Rab B), Excisanin A and Kamebakaurin (Kam). Among them, Rab A and Rab B are new compounds. Crystal structures of Rab A and Kam have been solved. The chemical structure of Rab B has been     

CRYSTAL AND MOLECULAR STRUCTURE OF RABDOSERRIN-D

<正> Introduction. Rabdoserrin-D C_(20)H_(30)O_5 is extracted from Rabdosia serra (Maxim) Hara, a Chinese medical herb with antitumourous activities. Tests show that this compound has a high inhibitory effect on the Hela cell cultured outside the body and thus it is worth further studying, The investigation on the     

CRYSTAL AND MOLECULAR STRUCTURE OF TETRAPHENYLDIARSINE

<正> The title compound, C24H20As2(Mr=458.24), crystallizes in mono-clinic with space group P21/n and a=6.268(2), b=7.494(2), c=21.340(7)A, β= 91.027(3)°, V=1002.6 A3, Z=2, D.x=1.518gcm-3. The final value of R is 0.059 for 1619 observed reflections. The four phenyls arrange in a staggered trans-conformation around the As-As' bond.     

CRYSTAL AND MOLECULAR STRUCTURE OF STEMOTININE

<正> C18H25NO5, Mr = 335.40, tetragonal, P41212, a = 15.578(4), c =14.723(3) A, V =3573(2) A3, Z = 8, D = 1.247 g cm-3, MoKα,λ= 0.71069 A, μ = 0.;85 cm-1, T = 293K, final R .= 0.100 and RW (on F2) = 0.080 for 1095 observed data [|FO| > 2σ(|FO|)]. The structure confirms the spectrbscopic assignment of a pentacyclic skeleton containing two α-methyl-γ-lactone rings, one ether and one tertiary amine.     

CRYSTAL AND MOLECULAR STRUCTURE OF (CYANOETHYLOXY-FERROCENYL)-p-FLUOROPHENYL METHANE

<正> The crystal structure of (Cyanoethyloxy-ferrocenyl)-p-fluoro-phenyl methane (Fc-C(H)OCH2CH2CN, Mr=363.23) belongs to the monoclinic spacegroup P21/c with unit cell parameters: a =9.751(3), b =18.448(4), c =9.891(4)A,β= 105.71(3)°,V= 1712.7A3,Z=4,Dc=1.409g/cm3,μ=8.930cm-1,λ=0.71073A (MoKα),R=0.05. The structure and reactivities of the title compound are compared with those of its isomer.     

CRYSTAL AND MOLECULAR STRUCTURE OF 2-PHBNYLQUINOXALINE

<正> C14H10N2,Mr =206.24, space group P21/n, a =5.861(3), b =10.230 (5), c =17.440(11) A,β=92.07(5)°,V= 1045(1) A3,Z=4, Dx=1.31 g.cm-3, MoKa radiation,u=0.73 cm-1,F(000)=432,R=0.063 for 1054 observed reflections. 2-Phenylquinoxaline molecule is approximately planar. The dihedral angle between the quinoxaline ring and the substituted phenyl ring is 7.0°. The C-C bond distance connecting these two rings is 1.495(4) A. The whole molecule is a conjugation system.     

CRYSTAL AND MOLECULAR STRUCTURE OF DEHYDROCRYDALINE CHLORIDE

The crystals of alkaloid Dehydrocrydaline chloride (C_(22)H_(24)NO_4·HCl) belong to the orthorhombic system. The space group is D_(2k)~(14)-Pbcn with the unit cell parameters of a=8.528,b=23.317 and c=24.798, and eight molecules per unit cell. The coordinates for all the non-hydrogen atoms were found by using direct methods and Fourier syntheses. During the course of refinement of this structure (using least squares and difference Fouriers), it was discovered that there are 4.5 water molecules with different occupancies in one asymmetric volume of the unit cell. The anisotropic refinement of non-hydrogen atoms and the isotropic refinement of non-aqueous hydrogen atoms led to a final R-factor of 0.053. Water molecules formed a relatively complex network around chloride ion.In this paper the small molecule structure and the network of water molecules are described.     

CRYSTAL AND MOLECULAR STRUCTURE OF HUMOSINE A

<正> The structure of humosine A, C20H19NO5, which represents a new kind of phthalide isoquinoline alkaloid,has been determined by X-ray diffraction analysis. The compound crystallized in the space group P212121 with a=7.654(2), b=12.926(2), c= 17.018(8) A, Z=4, V=1681.7A3, Dx=1.459g.cm-3, μ(Moke(?))=1.014 cm-1, F(000)=776. The structure was solved by direct methods, and refined by full-matrix least-squares with final R = 0.032 for 1517 observed reflections (I≥3σ).     

THE CRYSTAL STRUCTURE OF BIS(N-METHYLIMIDAZOL)- PALLADIUM OXALATE MONOHYDRATE

<正> INTRODUCTION. In recent years, Zhang Liangfu et al. were successful in using complexes composed of chelate ligand of diphosphine, dinitrogen and transition metal elements of lower valence multi-electrons to activate C-H bond. Recently, we synthesized complexes of bis(N-methylimidazol) ligand with palladium(Ⅱ) or platinum(Ⅱ) oxalate. These compounds activate also     

CRYSTAL STRUCTURE OF TETRAMETHLAMMONIUM BIS(TETRATHIOCYANATOVANADYL) MONOHYDRATE

<正> Preliminary informatiom. The title compound [(CH_3)_4N]_4[VO(NCS)_4VO(NCS)_4.H_2O] is a member of a series of vanadyl complexes, currently being investigated. It was prepared by the reaction of VOSO_4 with NH_4SCN in aqueous solution. Crystal data. (from single, crystal diffractometry, MoKα, λ=0.71073) M=945.16, orthogonal, a=23.252(6), b=13.015(2), c=30.621(6), space group Pcab, Z=8, D_m=1.32, D_c=1.34 g.cm~-3     

CRYSTAL AND MOLECULAR STRUCTURE OF NATURAL PRODUCT TOXOCAHOL

<正> Toxocarol C6H12O4 is a separated product from the plant of Toxocarpus (himalensis Falc. ex Hook. f.). It crystallizes in orthorhombic, the space group D2h-Pnca with a= 10.129(2), b= 11.297(3), c= 11.814(3)A, V=1351.9 A3, Z=8, Dc= 1.46 g.cm-3; m.p= 150.5°-151.5℃,μ(Mo)=1.3 cm-1. The result of structure analysis shows that the compound is a chair cyclohexan-tetrol .There is a complex net of hydrogen bonds in the crystal.     

CRYSTAL AND MOLECULAR STRUCTURE OF N, N-PLATINUM-DIETHYL-DICHLORIDEDI-L-ASPARTATE

This paper reports the crystal and molecular structure of title compound. 3978 three-dimensional independent reflections were collected by Syntex R3 four circle diffractometer. The crystal is monoclinic with space group P2_1, a=8.074(1), b=11.309(4), c=27.793(9), β=106.84°(2), Z=4. The molecular formula is Pt(C_8 H_(15)O_4N)_a Cl_2. The crystal structure was solved by Patterson method and refined by block matrix least squares refinement techniques. The final R factor is 0.039.The result of crystal structure analysis shows that Pt(Ⅱ) has a dsp~2 hybrid orbital and square coordination. Two C1 atoms are located oppositely to two diethyi-dichloride-di-L-aspartare. N atoms have sp~3 tetrahedral hybrid configurations and form the coordinate bonds with Pt(Ⅱ) atom using their lone pair electrons. By reason of molecular packing and due to the formation of inner hydrogen bonds in the complex molecule, the configuration of L-aspartic acid in the title complex is more twisted than that of L-and DL-aspartic acid