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K. Ravikumar, K. Chandramohan, Y. Damayanthi, A. Kamal

Crystal structure of picropodophyllin

The crystal and molecular structure of the title compound, C₂₂H₂₁O₈ has been elucidated at room temperature by single crystal X-ray diffraction technique. The colorless crystals are orthorhombic, space group P2₁2₁2₁, with unit cell parameters
a= 10.538(1) Å, b= 11.203(1) Å,c=16.855(2) Å, Z= 4, D_c= 1.380 g cm^-3. The structure was solved by direct methods and refined by a full-matrix least-squares procedure to final R= 0.042 for 1241 observed reflections with I ≥ 3σ(I). The structure of the molecule consists of a fused ring system containing four (A, B, C and D) rings with a pendant methoxy phenyl (E) ring. The conformations of dioxolen (A) ring, both phenyl (B and E) rings, the cyclohexane (C) ring and the lactone (D) ring are envelope, planar, distorted boat and envelope, respectively. The plane of the phenyl (E) ring is about 72° from the mean least-squares plane of rings A, B, C and D. The molecules are connected in a head to tail fashion by O–H...O hydrogen bonds.

Zeitschrift für Kristallographie, Oldenbourg Wissenschaftsverlag

Print ISSN: 0044-2968
Volume: 215, 01/2000
Pages: 45

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