Search Results - "IUCrData"

In the title compound, C14H9FN2O, the dihedral angle between the imidazo–pyridine fused ring system and the pendant fluorophenyl ring is 53.77 (4)°. In the crystal, C—H...O and C—H...F hydrogen bonds link the molecules into a three-dimensional network. A Hirshfeld surface analysis of the crystal str...

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The crystal structure of the title tetrahalogenated bicyclononane, C9H12Br2Cl2, is reported. The molecule adopts a distorted twist-chair conformation. The cyclopropane ring is almost parallel to the plane formed by the four methylene carbon atoms.

The solvated title compound, [Pd(C5H5NO2)(C28H38N2O2P2)]·0.5C7H8, consists of a palladium(0) atom coordinated by a chelating α,α′-bis[(tert-butyl)(6-methoxypyridin-2-yl)phosphino]o-xylene ligand and an η2-coordinating N-methylmaleinimide molecule to generate a 16 electron complex in which the metal...

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The asymmetric unit of the title compound, [Fe(C10H8N2)3][C{C(CN)2}3], contains an iron–bipyridyl unit and one third of two crystallographic independent tris(dicyanomethylidene)methanediide units. As a result of crystallographic site symmetry the ratio of cations to anions is 1:1. The tris(2,2′-bipy...

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In the title compound, C10H12N2O4, the four substituents lie out of the phenyl plane by varying degrees. The methyl C atom lies 0.019 (3) Å out of plane, while the methoxy O and C atoms lie 0.067 (2) and 0.042 (3) Å out of plane, respectively, with the C—C—O—C torsion angle being 3.3 (2)°. The plane...

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The solid-state structure of the title salt, C16H25N2O+·C4H3O4− {systematic name: [2-(4-hydroxy-1H-indol-3-yl)ethyl]bis(propan-2-yl)azanium (2E)-3-carboxyprop-2-enoate}, is reported. In the extended structure, the hydrofumarate anions form linear chains propagating in the [100] direction through O—H...

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The structure of the title solvated bis-N-heterocyclic carbene palladium(II) complex, [PdI2(C19H32N4O2)2·C2H6O, exhibits a slightly distorted square-planar coordination at the palladium(II) atom, with the six-membered chelate ring adopting a boat conformation. One disordered ethanol solvent molecule...

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The manganese(II) coordination compound, [Mn(C8H13S2O2)2(H2O)2], with two bidentate α-lipoate ligands and two coordinating water molecules, has been structurally characterized. The cantral MnII atom lies on a crystallographic twofold rotation axis and adopts a distorted octahedral coordination envir...

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The title compound, [Ru(C47H51O6P3)(C4H6)]·0.5C4H10O, consists of an RuII atom coordinated by 1,1,1-tris{[bis(4-methoxyphenyl)phosphanyl]methyl}ethane in κ3-coordination mode and an η4-coordinating trimethylenemethane ligand. The complex molecule is co-crystallized with a diethyl ether solvent molec...

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In the structure of the title compound, C17H25NO9S2, the bond lengths in the C—S—C moiety are almost equal at 1.7959 (8) and 1.7877 (9) Å, with a shorter formally double C—S bond of 1.6698 (9) Å at the other sulfur atom. The eight-atom sequence O3—C3—C2—C1—S—C—N—C (using standard sugar numbering) sh...

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The title complex, (C4H7N2)[Nd(C8H4F3O2S)4], is a salt formed via the acid–base reaction between 2-thenoyltrifluoroacetone (HTTA) and 2-methylimidazole (MeIm) in presence of neodymium(III) trifluoromethanesulfonate. The resulting compound features [Nd(TTA)4]− anions with the central rare-earth metal...

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The new redox-active title compound, C24H22N6O22+·2PF6−·2C2H3N, a 2,2-bipyridine derivative tethered to two N-methylpyridinium moieties as electron reservoirs, was synthesized and structurally characterized by 1H NMR spectroscopy and single-crystal X-ray diffractometry. The asymmetric unit comprises...

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In the extended structure of the title compound, C13H17NO4, molecular pairs are connected via N—H...O and C—H...O hydrogen bonds, generating inversion dimers characterized by R22(10) graph-set motifs. These dimers further associate through N—H...O and C—H...O interactions, forming supramolecular lay...

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In the title compound, 0.638C23H16BrF3N2·0.362C23H17F3N2, the Br atom has been partially replaced by an H atom by reaction with NaH. In the crystal, pairwise C—H...Br hydrogen bonds link the molecules into centrosymmetric dimers, enclosing R22(16) ring motifs. A Hirshfeld surface analysis indicates...

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