1-(1-chlorovinyl)-2,7-dimethoxynaphthalene.
C14H13ClO2, Mr = 248.71, monoclinic, P21/n, a = 11.291 (1), b = 7.343 (1), c = 15.223 (2) A, beta = 90.899 (8) degrees, V = 1262.0 (5) A3, Z = 4, Dx = 1.309 g cm-3, lambda(CU K alpha) = 1.54184 A, mu = 26.0 cm-1, F(000) = 520, T = 299 K, R = 0.041 for 2405 observations (of 2516 unique data). The average deviation from planarity is 0.019 (2) A with a maximum of 0.035 (1) A for the fused rings. The dihedral angle between the naphthalene system and the chlorovinyl group is 101.93 (4) degrees. The methoxy group ortho to the chlorovinyl 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 -175.6 (2) degrees. The other methoxy group has the methyl syn to the neighboring alpha carbon, with a C-C-O-C torsion angle of 1.9 (3) degrees.
Prince
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P
Department of Chemistry, Louisiana State University, Baton Rouge 70803-1804.
Evans
K L
KL
Boss
K R
KR
Fronczek
F R
FR
Gandour
R D
RD
D015394:Molecular Structure; D009281:Naphthalenes; D014961:X-Ray Diffraction
D009281:Naphthalenes; C065569:1-(1-chlorovinyl)-2,7-dimethoxynaphthalene