1-Acetyl-2,7-dimethoxynaphthalene.
C14H14O3, Mr = 230.3, monoclinic, P2(1)/c, a = 8.8107 (9), b = 18.372 (3), c = 7.7512 (11) A, beta = 98.49 (1) degrees, V = 1240.9 (5) A3, Z = 4, Dx = 1.232 g cm-3, lambda(Mo K alpha) = 0.71073 A, mu = 0.80 cm-1, F(000) = 488, T = 293 K, R = 0.047 for 1909 observations (of 2848 unique data). The average deviation from planarity is 0.017 (2) A with a maximum of 0.0285 (15) A for the fused rings. The dihedral angle between the naphthalene system and the acetyl group is 117.91 (6) degrees. The methoxyl group ortho to the acetyl adopts a conformation with the methyl group anti to the neighboring alpha-carbon of the ring, with a C-C-O-C torsion angle of -178.7 (2) degrees. The other methoxyl group has the methyl syn to the neighboring alpha-carbon, with a C-C-O-C torsion angle of -1.3 (3) degrees.
Prince
P
P
Department of Chemistry, Louisiana State University, Baton Rouge 70803-1804.
Fronczek
F R
FR
Gandour
R D
RD
D055598:Chemical Phenomena; D002627:Chemistry, Physical; D003460:Crystallization; D003461:Crystallography; D015394:Molecular Structure; D009281:Naphthalenes
D009281:Naphthalenes; C062172:1-acetyl-2,7-dimethoxynaphthalene