82 research outputs found

    (Sp)-1-Diphenylphosphanyl-2-{(S)-[2-(diphenylphosphanyl)phenyl]hydroxymethyl}ferrocene

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    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

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    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

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    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

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    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

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    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

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    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

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    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

    Erythromycin A dimethyl sulfoxide disolvate 1.43-hydrate

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    (R p)-1-{(R)-(Dimethyl­amino)[2-(diphenyl­phosphan­yl)phen­yl]methyl}-2-(diphenyl­phosphan­yl)ferrocene chloro­form solvate

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    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

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    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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