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The asymmetric unit of the title compound, C30H48O2, contains two independent molecules, the main difference between them being that the isopropenyl group is rotated by approximately 180°. In each molecule, the fused six-membered rings have chair–chair–chair–chair conformations and the cyclopentane ring adopts an envelope conformation with the C atom bearing the hydroxymethyl group as the flap. All ring junctions are trans-fused. With the exception of one of the methyl groups adjacent to the C=O group, all the methyl groups are in axial positions. The isopropenyl group is equatorial and the hydroxymethyl group is in an axial orientation. In the crystal, weak C—H
O interactions link the molecules into chains along [010]. Weak intramolecular C—HO hydrogen bonds are also observed but the hydroxy groups are not involved in hydrogen bonds.
O interactions link the molecules into chains along [010]. Weak intramolecular C—HO hydrogen bonds are also observed but the hydroxy groups are not involved in hydrogen bonds.organic compoundsOpen access
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In the title compound, C9H8N2O2S, the sulfamoyl –NH2 group is involved in intermolecular hydrogen bonding with the sulfonamide O and quinoline N atoms. In the crystal, molecules are linked into dimers via pairs of N—HN hydrogen bonds, forming an R22(10) motif. The dimers are further assembled into chains parallel to the b axis through N—HO hydrogen bonds, generating a C(4) motif. The crystal packing is additionally stabilized by intermolecular C—HO interactions. The crystal studied was a non-merohedral twin with a domain ratio of 0.938 (2):0.062 (2). Density functional theory (DFT) calculations, at the B3LYP/6–31 G(d,p) level of theory, were used to optimize the molecular structure and to determine interaction energies for the title compound. The resulting interaction energy is ∼4.4 kcal mol−1 per bridge for the C(4) chain and ∼5.9 kcal mol−1 per bridge for the R22(10) motif.
N hydrogen bonds, forming an R22(10) motif. The dimers are further assembled into chains parallel to the b axis through N—HO hydrogen bonds, generating a C(4) motif. The crystal packing is additionally stabilized by intermolecular C—HO interactions. The crystal studied was a non-merohedral twin with a domain ratio of 0.938 (2):0.062 (2). Density functional theory (DFT) calculations, at the B3LYP/6–31 G(d,p) level of theory, were used to optimize the molecular structure and to determine interaction energies for the title compound. The resulting interaction energy is ∼4.4 kcal mol−1 per bridge for the C(4) chain and ∼5.9 kcal mol−1 per bridge for the R22(10) motif.organic compoundsOpen access
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The title compound (systematic name: 4-oxopentanoic acid), C5H8O3, is close to planar (r.m.s. deviation = 0.0762 Å). In the crystal, the molecules interact via O—HO hydrogen bonds in which the hydroxy O atoms act as donors and the ketone O atoms in adjacent molecules as acceptors, forming C(7) chains along [20-1].
O hydrogen bonds in which the hydroxy O atoms act as donors and the ketone O atoms in adjacent molecules as acceptors, forming C(7) chains along [20-1].organic compoundsOpen access
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In the crystal structure of the title compound, C4H9NO2, the O—HN hydrogen bonds link the molecules into supramolecular chains extending along the b-axis direction. The conformation of the NOH group in the nearly planar (r.m.s. deviation = 0.0546 Å) ethyl acetohydroximate molecule is trans to N=C.
N hydrogen bonds link the molecules into supramolecular chains extending along the b-axis direction. The conformation of the NOH group in the nearly planar (r.m.s. deviation = 0.0546 Å) ethyl acetohydroximate molecule is trans to N=C.
