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Crystal structure of 1-(8-meth-oxy-2H-chromen-3-yl)ethanone.

ABSTRACT: In the structure of the title compound, C12H12O3, the di-hydro-pyran ring is fused with the benzene ring. The di-hydro-pyran ring is in a half-chair conformation, with the ring O and methyl-ene 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 meth-oxy 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 = meth-oxy], and similarly the aldehyde is coplanar with respect to the double bond of the di-hydro-pyran ring [Cdh-Cdh-Ca-Oa = -178.1?(3)°; dh = di-hydro-pyran and a = aldehyde]. In the crystal, mol-ecules are linked by weak meth-yl-meth-oxy C-H?O hydrogen bonds into supra-molecular chains along the a-axis direction.

SUBMITTER: Koh D

PROVIDER: S-EPMC4186109 | biostudies-literature | 2014 Sep

REPOSITORIES: biostudies-literature

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Crystal structure of 1-(8-meth-oxy-2H-chromen-3-yl)ethanone.

Koh Dongsoo D

Acta crystallographica. Section E, Structure reports online 20140801 Pt 9

In the structure of the title compound, C12H12O3, the di-hydro-pyran ring is fused with the benzene ring. The di-hydro-pyran ring is in a half-chair conformation, with the ring O and methyl-ene 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 meth-oxy 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 = meth-oxy], and similarly the aldehyde is co ...[more]

PMID: 25309264

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