Structure of 6-amino-4,4,5,7,8-pentamethyldihydrocoumarin.
C14H19NO2, Mr = 233.3, triclinic, P1, a = 9.925 (2), b = 11.193 (3), c = 11.915 (3) A, alpha = 95.39 (2), beta = 91.09 (2), gamma = 97.38 (2) degrees, V = 1304.7 (3) A3, Z = 4, F(000) = 480, Dx = 1.19 (1), Dm = 1.18 (1) g cm-3, lambda(Mo K alpha) = 0.71069 A, mu(Mo K alpha) = 0.43 cm-1, T = 292 K. Final R = 0.045 for 3099 observed reflections. The statistically significant difference in bond length C(6)-N between the two independent molecules can be explained in terms of the differences in the intermolecular interactions of the N atoms. The conformation of the lactone ring in both independent molecules is intermediate between half-chair and sofa and very similar to that observed in 4,4,5,7,8-pentamethyldihydrocoumarin. In both these compounds similar large distortions of valency angles occur in the phenyl rings to accommodate the overmethylation.
Katrusiak
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Department of Crystal Chemistry, Faculty of Chemistry, Adam Mickiewicz University, Poznán, Poland.
D055598:Chemical Phenomena; D002627:Chemistry, Physical; D003374:Coumarins; D003460:Crystallization; D008968:Molecular Conformation; D015394:Molecular Structure; D014961:X-Ray Diffraction
D003374:Coumarins; C062511:6-amino-4,4,5,7,8-pentamethyldihydrocoumarin