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Journal ArticleDOI

ORTEP-3 for Windows - a version of ORTEP-III with a Graphical User Interface (GUI)

01 Oct 1997-Journal of Applied Crystallography (International Union of Crystallography)-Vol. 30, Iss: 5, pp 565-565
TL;DR: L Lists of software presented and~or reviewed in the Journal of Applied Crystallography are available on the World Wide Web at the above address, together with information about the availability of the software where this is known.
Abstract: Computer Program Abstracts The category Computer Program Abstracts provides a rapid means of communicating up-to-date information concerning both new programs or systems and significant updates to existing ones. Following normal submission, a Computer Program Abstract will be reviewed by one or two members of the IUCr Commission on Crystallographic Computing. It should not exceed 500 words in length and should follow the standard format given on page 189 of the June 1985 issue of the Journal [J. Appl. CrysL (1985). 18, 189190] and on the World Wide Web at http://www.iucr. ac. uk/journals/jac/software/. Lists of software presented and~or reviewed in the Journal of Applied Crystallography are available on the World Wide Web at the above address, together with information about the availability of the software where this is known. J. App/. CrysL (1997). 30, 565 ORTEP-3 for Windows a version of ORTEP-III with a Graphical User Interface (GUI)
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Journal ArticleDOI
TL;DR: In this article, the authors used N-methyl-2-pyrrolidone (NMP) as the organic component to give six novel complexes, which were crystallographically characterized.
Abstract: Uranyl nitrate was reacted with several polycarboxylic acids under solvo-/hydrothermal conditions using N-methyl-2-pyrrolidone (NMP) as the organic component to give six novel complexes, which were crystallographically characterized. NMP is coordinated to the uranyl ion in all cases but one. The complex with terephthalic acid (H2tph), [UO2(tph)(NMP)] (1), crystallizes as a three-dimensional (3D) framework, an unprecedented feature in uranyl complexes with this ligand. The two complexes obtained with 2,5-thiophenedicarboxylic acid (H2thd), [UO2(thd)(NMP)] (2 and 3), crystallize as 3D frameworks having the same formula and topology but different packings. Two complexes were also obtained with 1,3,5-benzenetriacetic acid (H3bta), [(UO2)3(bta)2(NMP)3]·0.5H2O (4) and [Hbipy][UO2(bta)]·H2O (5). Complex 4, with NMP coordinated, is a 2D assembly, with a sheet thickness of ∼12 A arising from the superposition of three sublayers. Complex 5, obtained in the presence of 2,2′-bipyridine (bipy), is a 1D polymer with a ...

71 citations

Journal ArticleDOI
TL;DR: These 1,2,3-triazol-5-ylidene gold(I) chloride complexes (Au(trz)Cl) are able to catalyze the cycloisomerization of 1,6-enynes, in high yield and regioselectivity, as well as the intermolecular direct etherification of allylic alcohols.

71 citations

Journal ArticleDOI
TL;DR: In this article, a hexanuclear lead-II distorted octahedron containing two bridging oxide ligands was characterized by X-ray single crystal structure determinations, and the lead coordination number ranges from 5 to 8.
Abstract: The hydrothermal reactions of lead(II) acetate with carboxylic acids gave solids of composition [Pb(C4H4O4)] 1 (C4H4O4 = succinate); [Pb6O2(C14H9O3)8] 2 (C14H9O3 = benzoylbenzoate), [Pb(C8H4NO4)2(H2O)] 4 (C8H4NO4 = 2-nitrobenzoate) and [Pb(C8H3N2O6)2(H2O)] 5 (C8H3N2O6 = 3,5-dinitrobenzoate). The reaction of lead monoxide with trichloroacetic acid in hot wet toluene followed by filtration and cooling gave a solid of composition [Pb3(C2Cl3O2)6(H2O)3] 3. The compounds were characterised by X-ray single crystal structure determinations. Compounds 1, 3, 4 and 5 are polymeric whereas 2 is monomeric. The lead co-ordination number ranges from 5 to 8. Compound 2 is a novel hexanuclear lead(II) distorted octahedron containing two bridging oxide ligands.

71 citations

Journal ArticleDOI
TL;DR: The structures of the thallium(I) complexes with hydrotris(pyrazolyl)borate (TpTl, 2-Tl), and the modified Bp and Tp ligands dihydrobis(1,2,4-triazolyl)-borates (3-tl, 6-to 7-to 8-to 9-to 10-to 11-to 12-to 13-to 14-to 15-to 16-to 17-to 18-to 19-to-20-to 21-

71 citations

Journal ArticleDOI
TL;DR: In this paper, direct acid-catalysed condensation of substituted anilines with acetylacetone was found to give convenient access to β-enamineimines, which were conveniently metallated using BunLi.
Abstract: Direct acid-catalysed condensation of substituted anilines with acetylacetone was found to give convenient access to β-enamineimines [2-Pri-C6H4NCMeCHCMeNH-2-Pri-C6H4] and [2-MeO-C6H4NCMeCHCMeNH-2-MeO-C6H4], whereas TiCl4-mediated condensation was required to produce [2,6-Pri2-C6H3NHC(CF3)CHC(CF3)N-2,6-Pri2-C6H3], which was crystallographically characterized. All are conveniently metallated using BunLi. The structures of monomer [2-Pri-C6H4NCMeCHCMeN-2-Pri-C6H4·Li(thf)2], and dimer [{ 2-MeO-C6H4NCMeCHCMeN-2-MeO-C6H4·Li}2] are reported. The structure of the dimeric product of aldol addition of adamantan-2-one to [2-Pri-C6H4NCMeCHCMeN-2-Pri-C6H4·Li.], the lithium scorpionate [{(C10H14OLi)CH(CMeN-2-Pri-C6H4)2}2], is also reported. It undergoes retro-aldol dissociation upon dissolution in non-co-ordinating solvents. The efficient synthesis of α-C,C′ dialkylated ‘true’ β-diimines by repeat lithiation/alkylation of di- and mono-ortho-isopropylanilino diketiminates is also reported. The differing reactivity of the monomers and dimer with electrophiles, and its relation to the structures of the intermediates, are discussed.

71 citations