3-(2-Methoxyphenyl)-1H-2-benzopyran-1-one.
C16H12O3, Mr = 252.3, orthorhombic, Pna21, a = 6.633 (3), b = 13.367 (2), c = 14.056 (2) A, V = 1246.3 (9) A3, Z = 4, Dx = 1.344 g cm-3, lambda (Cu K alpha) = 1.54184 A, mu = 7.17 cm-1, F(000) = 528, T = 296 K, R = 0.027 for 2337 observations (of 2508 unique date). The average deviation from planarity is 0.013 (1) A with a maximum of 0.028 (1) A for the fused-rings system, and 0.003 (1) A with a maximum of 0.005 (1) A for the methoxyphenyl ring. The dihedral angle between the two systems is 4.7 (3) degrees. The methoxyphenyl ring is pushed away from the vinyl proton and towards the endocyclic O atom; the bond angles are 130.13 (9) and 110.13 (8) degrees, respectively.
Prince
P
P
Department of Chemistry, Louisiana State University, Baton Rouge 70803-1804.
Miller
J A
JA
Fronczek
F R
FR
Gandour
R D
RD
D001578:Benzopyrans; D055598:Chemical Phenomena; D002627:Chemistry, Physical; D003460:Crystallization; D003461:Crystallography; D015394:Molecular Structure
D001578:Benzopyrans; C062576:3-(2-methoxyphenyl)-1H-2-benzopyran-1-one