journal menu
organic compounds
The crystal structure of pentazocine hydrochloride [systematic name: 2-hydroxy-5,9-dimethyl-2-(3-methylbuten-2-yl)-6,7-benzomorphanium chloride], C19H28NO+·Cl-, has been determined at 105 K and found to be a second polymorphic form with space group C2/c. The space group and the unit-cell parameters are different from a reported crystal structure at 293 K [Majeste, Poindexter, Jones & Klein (1994). Acta Cryst. C50, 1633-1636]. There are only small differences in the molecular conformation, but the association between the protonated pentazocine molecules and the chloride ion is different.
organic compounds
In the title compound, C5H11NO2S, the conformation of the terminal methyl C atom with respect to the β-C atom is trans. The crystal structure is stabilized by a network of characteristic head-to-tail DL1 and DL2 sequences.
organic compounds
In the title compound, C31H28N2O2 the piperidinone ring adopts a twist-boat conformation. A C—H
O hydrogen bond between molecules related through a centre of inversion leads to the formation of dimers. These centrosymmetric dimers have no hydrogen-bond interactions between them and form columns running along the b axis through van der Waals interactions. In addition, a weak C—Hπ interaction involving the 2-methylphenyl ring, with Hπ = 2.64 Å and an angle of 170°, is observed.
O hydrogen bond between molecules related through a centre of inversion leads to the formation of dimers. These centrosymmetric dimers have no hydrogen-bond interactions between them and form columns running along the b axis through van der Waals interactions. In addition, a weak C—Hπ interaction involving the 2-methylphenyl ring, with Hπ = 2.64 Å and an angle of 170°, is observed.organic compounds
The piperidone ring in the title compound, C31H28N2O4, adopts the usual twist–boat conformation. The configurations of the aryl rings at the 2- and 3-positions are equatorial and those at the 5- and 6-positions are axial. The crystal structure is characterized by C—HO and C—HN hydrogen bonds between centrosymmetrically related pairs of molecules. In addition, there is an intramolecular C—HO hydrogen bond and a weak C—Hπ interaction. No significant aryl–aryl interactions were observed.
O and C—HN hydrogen bonds between centrosymmetrically related pairs of molecules. In addition, there is an intramolecular C—HO hydrogen bond and a weak C—Hπ interaction. No significant aryl–aryl interactions were observed.organic compounds
In the title compound, C29H22Cl2N2O2, the piperidinone ring adopts its usual twist–boat conformation. The crystal packing is stabilized by a three-dimensional network of C—HO hydrogen bonds involving the nitroso and carbonyl O atoms. No significant C—Hπ, π–π and ClCl interactions are observed but there are weak ClCl interactions.
O hydrogen bonds involving the nitroso and carbonyl O atoms. No significant C—Hπ, π–π and ClCl interactions are observed but there are weak ClCl interactions.
