organic compounds
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The title compound, C17H16O5, is a previously unreported substituted semibulvalene cage compound (that is, a tricyclic hydrocarbon formed from one cyclopropane and two cyclopentene rings which also has one double bond fused to a benzene ring). It has one methoxy substituent attached to the bridgehead C atom that links only the two cyclopentene rings and two methyl carboxylate groups located on the C atom shared by all three non-benzene rings and that shared only between the cyclopropane and the cyclopentene rings. The stereochemistry of the two enantiomers (racemate) that assemble in each unit cell is RRRS and SSSR. In the crystal, molecules are linked via C—HO hydrogen bonds and C—Hπ interactions, forming double-layered sheets lying perpendicular to the a axis.
organic compounds
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In the title compound, C16H26NO+·Cl-·0.5H2O, the asymmetric unit consists of two independent cations, their respective chloride anions and a solvent water molecule. Together they form a discrete crescent-shaped entity linked by hydrogen bonds from the central water atom to two Cl- ions and from the latter to two protonated imine groups. The geometries of the two independent cations are essentially the same. The planar N=C(O)CH3 groups in each (r.m.s. deviations = 0.0011 and 0.0026 Å) form dihedral angles of 75.28 (5) and 79.10 (4)° with the benzene rings. In one cation, the methyl atoms of one of the isopropyl groups were modeled as disordered over two sets of sites, with refined occupancies of 0.589 (17) and 0.411 (17).
organic compounds
Open access
In the structure of the title compound [systematic name: 1-(naphthalen-2-yl)ethanone], C12H10O, the acetyl group is approximately coplanar with the naphthalene ring with a Car—Car—C=O torsion angle of 5.8 (2)°. In the crystal, the molecules are packed in a classic herringbone arrangement typical for aromatic polycycles such as pentacene. They are also linked by weak end-to-end C—HO interactions along the ac diagonal.