6,886 research outputs found

    The structure of aliphatic amine adducts of uranyl acetylacetonate. I. Dioxobis(2,4-pentanedionato)mono (2-N-methylaminopentan-4-one)uranium(VI)

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    Crystals of the title compound are monoclinic with a= 8.314 (5), b= 22.723 (9), c= 12.589 (6) A, /3= 123.0 (2t, Z=4, space group P2dc. The structure was determined by Patterson and Fourier methods and refined by full-matrix least squares to a final R of 0.030 for 2043 independent reflexions. The U atom has pentagonal bipyramidal coordination and the N-methylacetylacetoneamine is bonded to U via O. There are two intramolecular N-H. . .0 hydrogen bonds which govern the geometry of the adduct molecule

    2-Amino-3-chloro-5-nitro­benzamide

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    The amide group in the title compound, C7H6ClN3O3, is significantly twisted out of the plane of the benzene ring [C—C—C—O = 34.2 (5)°] whereas the nitro group is almost co-planar [O—N—C—C = 4.0 (5)°] with the ring. Intra­molecular N—H⋯O and N—H⋯Cl hydrogen bonds occur. In the crystal, the mol­ecules are linked by N—H⋯O hydrogen bonds, generating layers propagating in the ab plane

    Bis{1,2-bis­[bis­(3-hydroxy­prop­yl)phosphino]ethane}dichloridoiron(II)

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    In the title compound, [FeCl2(C14H32O4P2)2], the FeII atom (site symmetry ) adopts a distorted trans-FeCl2P4 octa­hedral geometry with two P,P′-bidentate ligands in the equatorial positions and two chloride ions in the axial positions. In the crystal, mol­ecules are linked by O—H⋯O and O—H⋯Cl hydrogen bonds, generating a three-dimensional network

    (1S,2E,6R,7aR)-1,6-Dihy­droxy-2-(4-nitro­benzyl­idene)-2,3,5,6,7,7a-hexa­hydro-1H-pyrrolizin-3-one

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    The crystal structure of the title compound, C14H14N2O5, contains two distinct conformers in the asymmetric unit. The compound has three defined stereocenters, two of them contiguous, and a C=C double bond with an E conformation. The stereocenters exhibit the same chirality in both conformers, with significant differences in the conformation of the five-membered rings of the pyrrolizine unit (both either in a twist or in an envelope form) and in the dihedral angles between the corresponding mean planes and the benzene rings. A prominent feature is a change from almost coplanar rings in one conformer to a new conformation in the second conformer, in which the mean plane of a five-membered ring is almost perpendicular to the benzene ring, with a dihedral angle 87.19 (8)°; the corresponding angle in the first conformer is 14.02 (10)°. In the crystal, molecules are linked by O—H⋯O and C—H⋯O hydrogen bonds. Crystallographic data were essential to confirm the configuration of the double bond, which was unclear from the available two-dimensional NMR data. In addition, reliable Flack and Hooft parameters were obtained, allowing for the correct absolute structure to be determined

    5′′-(4-Meth­oxy­benzyl­idene)-7′-(4-meth­oxy­phen­yl)-1′′-methyl-5′,6′,7′,7a’-tetra­hydro­dispiro­[acenaphthene-1,5′-pyrrolo­[1,2-c][1,3]thia­zole-6′,3′′-piperidine]-2,4′′-dione

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    In the title compound, C37H34N2O4S, the piperidine ring adopts a half-chair conformation. The thia­zole ring adopts a slightly twisted envelope conformation and the pyrrole ring adopts an envelope conformation; in each case, the C atom linking the rings is the flap atom. An intra­molecular C—H⋯O inter­action is noted. The crystal structure is stabilized by C—H⋯O and C—H⋯π inter­actions

    (1S,2E,6R,7aR)-2-Benzyl­idene-1,6-dihy­droxy-2,3,5,6,7,7a-hexa­hydro-1H-pyrrolizin-3-one

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    In the title compound, C14H15NO3, the conformation of the double bond was determined to be E, confirming the result obtained from two-dimensional NMR data. The five-membered rings of the pyrrolizine unit exhibit C-envelope conformations, with C atoms displaced from the mean planes formed by the remaining rings atoms by 0.1468 (15) and 0.5405 (17) Å. The mean planes of these rings (through all ring atoms) have a dihedral angle of 49.03 (10)°. In the crystal, mol­ecules are linked by O—H⋯O hydrogen bonds. The absolute configuration of the mol­ecule was established, as judged by the, as judged by the obtained values for the Hooft and Flack parameters

    Pillared two-dimensional metal-organic frameworks based on a lower-rim acid appended calix[4]arene

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    Solvothermal reactions of the lower-rim functionalized diacid calix[4]arene 25,27-bis(methoxycarboxylic acid)-26,28-dihydroxy-4-tert-butylcalix[4]arene (LH₂) with Zn(NO₃)₂•6H₂O and the dipyridyl ligands 4,4/-bipyridyl (4,4/-bipy), 1,2-di(4-pyridyl)ethylene (DPE) or 4,4/-azopyridyl (4,4/-azopy) afforded a series of 2-D structures of the formulae {[Zn(4,4/-bipy)(L)]•2¼DEF}n (1), {[Zn₂(L)(DPE)]•DEF}n (2) and {[Zn(OH₂)₂(L)(4,4/-azopy)]•DEF}n (3) (DEF = diethylformamide)

    5-Benzoyl-2-(1H-indol-3-yl)-4-(4-methyl­phen­yl)-4,5-dihydro­furan-3-carbonitrile

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    The furan ring in the title compound, C27H20N2O2, adopts a twisted conformation about the sp 3—sp 3 bond. The mol­ecular structure is stabilized by an intra­molecular C—H⋯O inter­action which generates an S(6) ring motif. The crystal packing is stabilized by N—H⋯O and C—H⋯O inter­actions generating centrosymmetric R 2 2(18) and C(6) chain motifs, respectively. A weak C—H⋯π inter­action is also observed

    8-Bromo­naphthalen-1-amine

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    The title compound, C10H8BrN, was obtained by slow addition of sodium azide to 8-bromo-1-naphthoic acid, followed by addition of aqueous ammonia. The crude product was crystallized from petroleum ether to give pink crystals. Compared to other 1,8-disubstituted naphthalene compounds, this compound exhibits less strain between the 1 and 8 substituents. Additionally, the NH protons form both intra- and inter­molecular hydrogen bonds. The naphthalene units are arranged in a herring-bone stacking motif
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