Crystal structure of 1-(8-methoxy-2H-chromen-3-yl)ethanone

• Main Author: Dongsoo Koh
• Format: Article
• Language: English
• Published: International Union of Crystallography 2014-09-01
• Series: Acta Crystallographica Section E
• Subjects: crystal structure; hydrogen bonding; dihydropyran ring; chromenes
• Online Access: http://scripts.iucr.org/cgi-bin/paper?S1600536814016808

In the structure of the title compound, C12H12O3, the dihydropyran ring is fused with the benzene ring. The dihydropyran ring is in a half-chair conformation, with the ring O and methylene C atoms positioned 1.367 (3) and 1.504 (4) Å, respectively, on either side of the mean plane formed by the other four atoms. The methoxy group is coplanar with the benzene ring to which it is connected [Cb—Cb—Om—Cm torsion angle = −0.2 (4)°; b = benzene and m = methoxy], and similarly the aldehyde is coplanar with respect to the double bond of the dihydropyran ring [Cdh—Cdh—Ca—Oa = −178.1 (3)°; dh = dihydropyran and a = aldehyde]. In the crystal, molecules are linked by weak methyl–methoxy C—H...O hydrogen bonds into supramolecular chains along the a-axis direction.