GEOMETRY OF 3-MEMBERED RINGS IN TRIANGULANES - AN X-RAY STRUCTURAL STUDY AND ADDITIVITY SCHEME FOR CARBON-CARBON BOND LENGTHS IN TRIANGULANESстатья
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Аннотация:An X-ray structural study of two gem-dihalosubstituted triangulanes, possessing linear fragments of spiroannulated cyclopropanes, allowed us to work out an empirical calculation scheme describing the geometry of triangulanes. The crystal data for 1,1-dichlorotetraspiro[2.0.0.2.0.2.0.1]undecane (C11H12Cl2, M(r) = 215.1) measured at 173 K are: P1BAR, Z = 2, a = 6.729 (2), b = 9.176 (2), c = 9.490 (3) angstrom, alpha = 94.49 (2), beta = 107.42 (2), gamma = 103.12 (2)degrees, V = 537.7 (6) angstrom3, D(x) = 1.33 g cm-3, Mo Kalpha radiation, lambda = 0.71069 angstrom, mu = 5.56 cm-1, F(000) = 224. The final agreement factor was R = 0.027 for 2501 unique reflections. The crystal data for 1, 1-dibromopentaspiro[2.0.0.0.2.0.2.0.1.1]tridecane (C13H14Br2, M(r) = 330.1) measured at 183K are: P1BAR, Z = 2, a = 7.433 (5), b = 9.508 (6), c = 10. 120 (9) angstrom, alpha = 111.69 (2), beta = 93.81 (6), gamma = 100.23 (5)degrees, V = 647.1 (8) angstrom3, D(x) = 1.69 g cm-3, Mo Kalpha radiation, lambda = 0.71069 angstrom, mu = 61.7 cm-1, F(000) = 324. The final agreement factor was R = 0.047 for 2987 unique reflections.