82 research outputs found
(Sp)-1-Diphenylphosphanyl-2-{(S)-[2-(diphenylphosphanyl)phenyl]hydroxymethyl}ferrocene
The absolute configuration of the title compound, [Fe(C5H5)(C36H29OP2)], is Sp at the ferrocene group and S at the asymmetric C atom. Both P atoms have a trigonal-pyramidal conformation. There is a short intramolecular C-H...P contact with an H...P distance of 2.56 Å. The hydroxy group is involved in an intramolecular O-H...[pi]phenyl interaction. The crystal packing shows five very weak intermolecular C-H...[pi] contacts, with H...Cg distances between 3.26 and 3.39 Å (Cg is the centroid of a phenyl or cyclopentadienyl ring). Key indicators: single-crystal X-ray study; T = 162 K; mean σ(C–C) = 0.004 Å; R factor = 0.038; wR factor = 0.083; data-to-parameter ratio = 22.3
2-Aminoterephthalic acid dimethyl ester
Single crystals of the title compound, C10H11NO4, an intermediate in the industrial synthesis of yellow azo pigments, were obtained from the industrial production. The molecules crystallize as centrosymmetic dimers connected by two symmetry-related N—H⋯O=C hydrogen bonds. Each molecule also contains an intramolecular N—H⋯O=C hydrogen bond. The dimers form stacks along the a-axis direction. Neighbouring stacks are arranged into a herringbone structure
3-Ethynyl-2,2,5,5-tetramethyl-1-oxyl-3-pyrroline
The five-membered ring of the title compound, C10H14NO, is almost planar [mean deviation from best plane = 0.006 (1) Å]. The N—O bond is in the plane of the five-membered ring. The molecule is positioned about a pseudo-mirror plane at y = 0.375. In the crystal, molecules are connected by intermolecular C—H⋯O contacts into layers parallel to (010)
2-({4-[4-(1H-Benzimidazol-2-yl)phenyl]-1H-1,2,3-triazol-1-yl}methoxy)ethanol
In the title molecule, C18H17N5O2, the dihedral angle between the benzene plane and the benzimidazole plane is 19.8 (1)° and the angle between the benzene plane and the triazole plane is 16.7 (1)°. In the crystal, molecules are connected by O—H⋯N hydrogen bonds, forming zigzag chains along the c-axis direction. The chains are connected by bifurcated N—H⋯(N,N) hydrogen bonds into layers parallel to (100). These layers are connected along the a-axis direction by weak C—H⋯O contacts, forming a three-dimensional network
4-Ethynyl-2,2,6,6-tetramethyl-1,2,5,6-tetrahydropyridine N-oxide
The six-membered ring of the title compound, C11H16NO, has a distorted envelope conformation. The piperidine N atom deviates by 0.128 (1) Å from the plane through its three neighbouring atoms. In the crystal structure, molecules are connected by intermolecular Cethynyl—H⋯O contacts to form chains extending in the [10] direction
(Z,Z)-1,4-Diiodo-1,4-bis(trimethylsilyl)buta-1,3-diene
The asymmetric unit of the title compound, C10H20I2Si2, contains two half-molecules. Both complete molecules are generated by crystallographic inversion centers located at the mid-points of the central C—C single bonds; the butadiene groups are planar, with a trans conformation about the central C—C bond. The molecules show short intramolecular H⋯I contacts of 2.89 and 2.92 Å. The crystal packing shows no short intermolecular contacts
Dichlorido(3-phenylindenylidene)bis(triphenylphosphane)ruthenium(II) tetrahydrofuran disolvate
The RuII atom in the title compound, [RuCl2(C15H10)(C18H15P)2]·2C4H8O, has a distorted square-pyramidal conformation. The P and Cl atoms are at the base of the pyramid and the Ru—Cindenylidene bond is in the axial position. The two Cl ligands and the two phosphane ligands are in trans positions. The Cl—Ru—Cl and P—Ru—P angles are 157.71 (2) and 166.83 (2)°, respectively. The two independent tetrahydrofuran (THF) solvent molecules are disordered. One THF molecule was refined using a split-atom model. The second THF molecule was accounted for by using program PLATON/SQUEEZE [Spek (2009 ▶). Acta Cryst. D65, 148–155]. The molecular conformation shows three intramolecular C—H⋯Cl contacts and two C—H⋯π interactions while the crystal packing features an intermolecular C—H⋯Cl contact and two very weak intermolecular C—H⋯π contacts
(R p)-1-{(R)-(Dimethylamino)[2-(diphenylphosphanyl)phenyl]methyl}-2-(diphenylphosphanyl)ferrocene chloroform solvate
The absolute configuration of the title molecule, [Fe(C5H5)(C38H34NP2)]·CHCl3, is R,R
p. The molecular structure is similar to the structure of the solvent-free compound [Fukuzawa, Yamamoto & Kikuchi (2007 ▶). J. Org. Chem. 72, 1514–1517], but some torsion angles about the P—Cphenyl bonds differ by up to 25°. The P atoms and the N atom have a distorted trigonal-pyramidal geometry. The chloroform solvate group donates a C—H⋯π bond to the central benzene ring and is also involved in six intermolecular C—H⋯Cl contacts with H⋯Cl distances between 2.96 and 3.13 Å
1,3,5,7-Tetrakis(4-iodophenyl)adamantane benzene tetrasolvate
The title molecule, C34H28I4·4C6H6, has crystallographic symmetry and crystallizes with four symmetry-related benzene solvent molecules. The phenyl group is eclipsed with one of the adamantane C—C bonds. The tetraphenyladamantane units and the benzene solvent molecules are connected by weak intermolecular phenyl–benzene C—H⋯π and benzene–benzene C—H⋯π interactions. In the crystal, molecules are linked along the c-axis direction via the iodophenyl groups by a combination of weak intermolecular I⋯I [3.944 (1) Å] and I⋯π(phenyl) [3.608 (6) and 3.692 (5) Å] interactions
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