Crystal structure of 3H-1,2-benzodithiol-3-one 1-oxide

The compound 3H-1,2-benzodithiol-3-one 1-oxide (2) has proven useful in modeling the reactivity of the novel antitumor antibiotic leinamycin (1). The crystal structure of this unusual sulfur heterocycle is reported here. The molecule crystallizes in the P-1 space group with cell parameters a = 7.168(4), b = 7.670(3), c = 7.922(3)Å, = 68.34(4), = 83.86(3), = 65.50(3),° and U = 367.8 ų.     

Synthesis and X-ray crystal structure of a complex formed by reaction of 1,2-bis(2′-pyridylethynyl)benzene and mercury(II) chloride

The X-ray crystal structure of the complex formed between 1,2-bis(2′-pyridylethynyl) benzene and mercuric(II) chloride is described. The complex (C₄₀H₂₄Cl₆Hg₃N₄) crystallized in the triclinic space group P-1 with a=9.0414(6), b=9.4631(7), c=12.1134(9) ?, α=97.4680(10), β=94.8130(10), γ=105.4700(10)°. The structure reveals that the ligand is distorted from planarity to accommodate the mercury cation and a third mercuric chloride moiety is held between two ligand-mercury coordination complexes. The central mercury cation has octahedral coordination geometry surrounded by six chlorides while the other two mercury cations have distorted tetrahedral geometry each coordinated by two pyridyl nitrogen atoms and two chlorides.     

Structure of zinc tetraphenylporphyrin dimethyl formamide-methylene chloride

C₄₈H₃₇N₅ZnOCl₂,M _r+836.13, triclinic, $P\bar 1$ ,a+11.2231(15),b+12.5155(18),c+14.6013(19)Å, α=99.001(7), β=94.600(8), γ=103.221(7)^o,V+1957.6(5)ų,Z+2, D_x+1.419 gcm^?3, MoKα (λ=0.7107Å), µ_cale,F(000)=1670,T+173±1K, final discrepancy factor 2.8% for 5274 unique reflections above 2.5σ(I) in the range 3<2θ<48^o. The metal is coordinated to the four nitrogen atoms of the porphyrin ring and the oxygen of the dimethyl formamide moiety. The geometry of this porphyrin is nonplanar with respect to the overall structure, although the pyrrole rings are nearly coplanar with the zine metal pulled out of the plane in the familiar domed-shaped geometry.     

Crystal structure of methyl trans-3-[(2-(methoxycarbonyl)phenyl)sulfinyl]acrylate: a product resulting from trapping of a sulfenic acid by methyl propiolate

Evidence for the formation of unstable sulfenic acids (RSOH) as reaction intermediates is commonly provided by trapping these compounds with methyl propiolate. The crystal structure of a vinyl sulfoxide derived from the trapping of a sulfenic acid with methyl propiolate is reported here. The title compound C₁₂H₁₂O₅S crystallized in the triclinic space group,P1¯ with unit cell parameters: a = 6.1600(4), b = 9.7286(7), c = 11.3698(8) Å, = 112.024(1), = 94.662(1), = 95.429(1)°, and Z = 2.     

Crystal structure of chloritopentamminecobalt(III) tetracyanopalladate(II)

The X-ray crystal structure of [(NH₃)₅Co(ClO₂)][Pd(CN)₄]·H₂O consists of two discrete complex ions and a water of hydration. The red crystals are triclinic, P , with lattice parameters a = 7.1992(5), b = 9.4873(7), c = 11.7752(8) Å. = 66.680(1), = 75.784(1), = 82.203(1)°, and Z = 2 giving a cell volume of 715.27(9) ų and a calculated density of 2.043 g/cm³ at 293°. The chlorite ion is O-bonded to the cobalt atom with amine N—Co distances all equal. The chlorite ion is bent with a O—Cl—O angle of 110.8(2)° and the Cl—O distances being 1.601(3) and 1.558(3) Å, the longer value for the O atom also coordinated to Co. The Pd(CN)^–2 ₄ ions are planar, C-coordinated and stack along the x-axis, separated by 3.599(1) Å and alternatively rotated by 29.9(5)°.