595 research outputs found
Norbornane-exo-cis-2,3-diyl 1′,2′-phenylene orthocarbonate
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
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
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
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
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
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
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
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
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
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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