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

In the structure of the title compound, C(12)H(12)O(3), 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...

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Autor principal: Koh, Dongsoo
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2014
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4186109/
https://www.ncbi.nlm.nih.gov/pubmed/25309264
http://dx.doi.org/10.1107/S1600536814016808
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author Koh, Dongsoo
author_facet Koh, Dongsoo
author_sort Koh, Dongsoo
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description In the structure of the title compound, C(12)H(12)O(3), 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 [C(b)—Cb—O(m)—C(m) 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 [C(dh)—C(dh)—C(a)—O(a) = −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.
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spelling pubmed-41861092014-10-12 Crystal structure of 1-(8-meth­oxy-2H-chromen-3-yl)ethanone Koh, Dongsoo Acta Crystallogr Sect E Struct Rep Online Data Reports In the structure of the title compound, C(12)H(12)O(3), 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 [C(b)—Cb—O(m)—C(m) 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 [C(dh)—C(dh)—C(a)—O(a) = −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. International Union of Crystallography 2014-08-01 /pmc/articles/PMC4186109/ /pubmed/25309264 http://dx.doi.org/10.1107/S1600536814016808 Text en © Dongsoo Koh 2014 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Data Reports
Koh, Dongsoo
Crystal structure of 1-(8-meth­oxy-2H-chromen-3-yl)ethanone
title Crystal structure of 1-(8-meth­oxy-2H-chromen-3-yl)ethanone
title_full Crystal structure of 1-(8-meth­oxy-2H-chromen-3-yl)ethanone
title_fullStr Crystal structure of 1-(8-meth­oxy-2H-chromen-3-yl)ethanone
title_full_unstemmed Crystal structure of 1-(8-meth­oxy-2H-chromen-3-yl)ethanone
title_short Crystal structure of 1-(8-meth­oxy-2H-chromen-3-yl)ethanone
title_sort crystal structure of 1-(8-meth­oxy-2h-chromen-3-yl)ethanone
topic Data Reports
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4186109/
https://www.ncbi.nlm.nih.gov/pubmed/25309264
http://dx.doi.org/10.1107/S1600536814016808
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