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The title compound, C31H48O7, a polyoxygenated steroid, was obtained by chemical oxidation of 7-dehydrocholesteryl acetate. The molecular geometry features trans A/B and C/D junctions at the steroid core with the acetyl groups in the equatorial position and a fully extended conformation for the alkyl side chain. A chair conformation is observed for rings A and C while ring B adopts a half-chair conformation. The five-membered ring D has an envelope conformation, with the C atom bearing the methyl group at the flap. The terminal isopropyl group and one acetyl group are disordered over two sets of sites with 0.774 (8):0.226 (8) and 0.843 (7):0.157 (7) ratios, respectively. An intramolecular S(6) O—H
O hydrogen-bonding motif involving a hydroxy donor and acceptor is observed. In the crystal, chains of molecules running along the b axis are formed via O—HO hydrogen bonds between hydroxy donors and carbonyl acceptors of the ordered acetyl group, giving rise to a C(14) motif. The chains are wrapped around the 21 screw axes.
O hydrogen-bonding motif involving a hydroxy donor and acceptor is observed. In the crystal, chains of molecules running along the b axis are formed via O—HO hydrogen bonds between hydroxy donors and carbonyl acceptors of the ordered acetyl group, giving rise to a C(14) motif. The chains are wrapped around the 21 screw axes.organic compoundsOpen access
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In the title adduct, C15H10N4·2C10H10N2, the pyrimidine ring is nearly co-planar with the heteroatomic perimidine ring, as indicated dihedral angle between their mean planes of 3.21 (11)°. The diaminonaphthalene molecules are slightly twisted [dihedral angles = 4.2 (2) and 3.0 (2)°] because of the steric encumbrance of NH2 groups. The perimidine and diaminonaphthalene molecules are linked by N—HN hydrogen bonds, forming an R44(12) graph-set motif across an inversion center. In the crystal, alternating layers of the perimidine and diaminonaphthalene molecules are formed along [100]. In the perimidine layer, molecules are π–π stacked along the c-axis direction with an interplane separation of approximately 3.4 Å.
N hydrogen bonds, forming an R44(12) graph-set motif across an inversion center. In the crystal, alternating layers of the perimidine and diaminonaphthalene molecules are formed along [100]. In the perimidine layer, molecules are π–π stacked along the c-axis direction with an interplane separation of approximately 3.4 Å.
