595 research outputs found

    Norbornane-exo-cis-2,3-diyl 1′,2′-phenyl­ene orthocarbonate

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    The title compound (systematic name: 4,7-methano-2,2′-spirobi­[1,3-benzodioxole]), C14H14O4, is an asymmetric spiro ester of orthocarbonic acid and two diols, viz. the aromatic benzene-1,2-diol and the aliphatic vicinal norbornane-exo-cis-2,3-diol. The orthocarbonate mol­ecule is close to having non-crystallographic C s symmetry. The five-membered ring stemming from the aliphatic diol has an envelope conformation. C—O bonds including the spiro-C atom span an approximately 0.07 Å range, but are within 0.02 Å of the respective distances in a density functional theory calculation, i.e. the distance difference is not caused by packing forces. Accordingly, the crystal packing is characterized by weak C—H⋯O and C—H⋯π inter­actions

    2,4,6-Trifluoro­benzoic acid

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    In the title compound, C7H3F3O2, the C—C—C angles in the ring are greater than 120° for F-bonded C atoms [123.69 (13), 123.88 (12) and 123.66 (12)°]. In the crystal, inter­molecular O—H⋯O hydrogen bonds between carboxyl groups give rise to the formation of a centrosymmetric dimer, while dispersive F⋯O contacts [2.8849 (16) Å] connect the dimers into infinite strands along the a axis

    Ethyl­triphenyl­phospho­nium bromide dihydrate

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    In the crystal structure of the title hydrated bromide salt, C20H20P+·Br−·2H2O, O—H⋯Br and O—H⋯O hydrogen bonds as well as C—H⋯Br contacts connect the different components into a three-dimensional network. In the cation, the aromatic rings make dihedral angles of 55.24 (5), 76.16 (4) and 85.68 (4)°

    Sodium p-toluenesulfinate tetra­hydrate

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    The title compound, Na+·C7H7O2S−·4H2O, is the hydrate of the sodium salt of para-toluene­sulfinic acid. The mol­ecular geometry around the sulfur atom is tetra­hedral with X–S–Y angles spanning a range of 102.23 (6)–110.04 (6)°. In the crystal, the water mol­ecules connect the sodium cations into chains along the b axis via O—H⋯O hydrogen bonds. An inter­molecular O—H⋯π inter­action is also observed

    (E)-3-(2-Chloro­phen­yl)-1-(4,4′′-difluoro-5′-meth­oxy-1,1′:3′,1′′-terphenyl-4′-yl)prop-2-en-1-one

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    The title compound, C28H19ClF2O2, is a polysubstituted terphenyl derivative bearing a Michael system in which the C=C double bond has an E conformation. In the crystal, C—H⋯Cl and C—H⋯O contacts connect the mol­ecules into layers lying perpendicular to the a axis. The shortest inter­centroid distance between symmetry-related 4-fluoro­phenyl groups is 3.7547 (16) Å

    Bis(2-hy­droxy­phen­yl)methanone

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    In the title compound, C13H10O3, a benzophenone derivative, the least-squares planes defined by the C atoms of the 2-hy­droxy­phenyl rings inter­sect at an angle of 45.49 (3)°. The substituents on the aromatic systems are both orientated towards the central O atom. Intra- as well as inter­molecular O—H⋯O hydrogen bonds are observed, the latter giving rise to the formation of centrosymmetric dimers. The closest centroid–centroid distance between two π-systems is 3.7934 (7) Å

    (3-Amino­phen­yl)methanol

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    In the title compound, C7H9NO, a derivative of benzyl alcohol, the endocyclic C—C—C angles are in the range 119.50 (12)–121.04 (12)°. In the crystal, mol­ecules are linked by N—H⋯O hydrogen-bond inter­actions, forming an extended two-dimensional framework parallel to ab. O—H⋯N inter­actions are also observed

    5-Amino­pentan-1-ol

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    The title compound, C5H13NO, is an aliphatic amino­alcohol with both functional groups residing on terminal C atoms. Apart from the hy­droxy group, all non-H atoms are nearly co-planar, the maximum deviation of an atom taking part in the least-squares plane defined by the mentioned non-H atoms being 0.029 (1) Å. In the crystal, O—H⋯N and N—H⋯O hydrogen bonds connect the mol­ecules, forming a three-dimensional network

    (Cyclo­pentane-1,1-di­yl)dimethanol

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    In the title compound, C7H14O2, co-operative eight-membered homodromic rings of O—H⋯O hydrogen bonds connect the mol­ecules into strands along [100]. According to graph-set analysis, the descriptor of these cycles is R 4 4(8). The cyclo­pentane-ring adopts an envelope conformation (C4 E)

    Bis(piperidin-1-yl)methanone

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    The title compound, C11H20N2O, is a urea derivative bearing two piperidine moieties in place of the amino groups. The mol­ecule shows approximate non-crystallographic C 2 symmetry. The six-membered rings adopt 1 C 4 and 4 C 1 conformations and their mean planes make a dihedral angle of 35.87 (5)°. In the crystal, inter­molecular C—H⋯O contacts connect the mol­ecules into infinite strands along the a axis
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