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Zusammenfassung
A complete three-dimensional X-ray crystal structure anal. of 1,1-bis(4-hydroxyphenyl)-2-phenylethene (BHPE) has been carried out. After isotropic refinement of F-values by least-squares, R is 0.163. BHPE crystallizes with 8 mols. in a unit cell of monoclinic symmetry, space group C2/c and cell dimensions a = 20.851, b = 15.505, c = 10.536 .ANG., beta = 107.54 Deg. The mol. of BHPE is not flat, ...
Zusammenfassung
A complete three-dimensional X-ray crystal structure anal. of 1,1-bis(4-hydroxyphenyl)-2-phenylethene (BHPE) has been carried out. After isotropic refinement of F-values by least-squares, R is 0.163. BHPE crystallizes with 8 mols. in a unit cell of monoclinic symmetry, space group C2/c and cell dimensions a = 20.851, b = 15.505, c = 10.536 .ANG., beta = 107.54 Deg. The mol. of BHPE is not flat, the arom. rings are twisted out of the ethene plane with angles of -30.16 Deg (ring B), -51.45 Deg (ring C) and -33.46 Deg (ring A). The bond angle between the 1,1-standing, 4-hydroxy-substituted Ph rings amts. to 115.3 Deg resulting in a distance between the hydroxy groups of 9.636 .ANG.. BHPE proved to be a weak impeded estrogen with minor antiestrogenic potency, though its estrogen receptor affinity is very high (29%, estradiol 100%). A discussion of the influence of the spatial structure of BHPE and related substances on its estrogenic/antiestrogenic and mammary tumor-inhibiting potency is given.