This paper reports an experimental and a theoretical study of the structures and standard (p(o) = 0.1 MPa) molar enthalpies of formation of the synthetic reagents 1,3-thiazolidine-2-thione [CAS 96-53-7] and 1,3-oxazolidine-2-thione [CAS 5840-81-3]. The enthalpies of combustion and sublimation were measured by rotary bomb combustion calorimetry, and the Knudsen effusion technique and gas-phase e...

The title compounds were prepared by direct reaction of the corresponding elements at high temperature. Their structures were determined by single-crystal X-ray diffraction (Cs24Nb2In12As18, triclinic, P1, Z=1, a=9.519(4), b=9.540(5), and c=25.16(1) A, alpha=86.87(4), beta=87.20(4), and gamma=63.81(4) degrees; Cs13Nb2In6As10, triclinic, P1, Z=1, a=9.5564(5), b=9.6288(5), and c=13.9071(7) A, alp...

The structure of a crystalline material may be described by a crystal lattice structure and the locations of atoms in this lattice. The crystal lattice is a 3-dimensional periodic array that defines the symmetries, i.e. shape, of the crystal. There are seven possible crystal lattices: cubic, hexagonal, tetragonal, rombohedral, orthorhombic, monoclinic and triclinic. When we define the possible ...

The title compound, C17H15N3O2, is a monoclinic polymorph (P21/c with Z' = 1) of the previously reported triclinic (P-1 with Z' = 2) form [Gajera et al. (2013 ▸). Acta Cryst. E69, o736-o737]. The mol-ecule in the monoclinic polymorph features a central pyrazolyl ring with an N-bound p-tolyl group and a C-bound 1,3-benzodioxolyl fused-ring system on either side of the C atom bearing the amino gr...

Z. Naturforsch. 55 b, 45-50 (2000); eingegangen am 9. November 1999 Pentachlorofluoroosmate(V), ds-Tetrachlorodifluoroosmate(V), Crystal Structure, Vibrational Spectra, Normal Coordinate Analyses By careful oxidation of the pure fluorochloroosmates(IV) with BrF3 in dichloromethane the mixed pentavalent complex anions [OsF5C1]_ and m -[O sF 4Cl2]_ are formed. X-ray structure determinations on si...

Mechanochemical synthesis has recently emerged as a scalable “green” approach for the preparation of MOFs, but current understanding underlying reaction mechanisms is limited. In this work, an investigation pathway mechanochemical MOF-74 from ZnO and 2,5-dihydroxyterephthalic acid (H4HDTA), using DMF liquid additive, presented. The complex involves formation four short-lived intermediate phases...

The class IV adenylyl cyclase from Yersinia pestis has been engineered by site-specific mutagenesis to facilitate crystallization at neutral pH. The wild-type enzyme crystallized only below pH 5, consistent with the observation of a carboxyl-carboxylate H bond in a crystal contact in the refined structure 2FJT. Based on that unliganded structure at 1.9 A resolution, two different approaches wer...

Cholesterol crystals are the building blocks of cholesterol gallstones. The exact structure of early-forming crystals is still controversial. We combined cryogenic-temperature transmission electron microscopy with cryogenic-temperature electron diffraction to sequentially study crystal development and structure in nucleating model and native gallbladder biles. The growth and long-term stability...

The structure of [{Rh2II,II(O2CCH3)4}{Pt2II,II(acam)2(NH3)4}2(PF6)4·C24H48O12]n (acam = acetamidate) was determined via X-ray crystallography. substance crystallizes in a triclinic system, and is described as follows: P-1, 10.8370(3), b 11.4188(4), c 19.4055(7)Å, α 84.079(3)°, β 89.031(3)°, γ 62.366(3)°, Z 2, V 2114.77(13) Å3. crystal solved by direct methods refined full-matrix least-squares o...

THE TITLE COMPOUND [SYSTEMATIC NAME: 2-(4-meth-oxy-benz-yl)-isoindoline-1,3-dione], C(16)H(13)NO(3), represents a triclinic polymorph of the previously reported monoclinic form [Warzecha et al. (2006 ▶). Acta Cryst. E62, o5450-o5452]. The reaction of potassium phthalimide and 4-meth-oxy-benzyl chloride in dimethyl-formamide gave platelet-shaped crystals; these were harvested and then needle-sha...