1-(1,3-Benzodioxol-5-yl)ethanone

In the title compound, C(9)H(8)O(3), the dihedral angle between the mean planes of the benzene and dioxole rings is 1.4 (8)°, with the dioxole group in a slightly distorted envelope configuration with the flap C atom displaced by 0.0645 Å from the plane through the other four atoms. In the crystal,...

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Autores principales: Jasinski, Jerry P., Butcher, Ray J., Hakim Al-arique, Q. N. M., Yathirajan, H. S., Narayana, B.
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2979689/
https://www.ncbi.nlm.nih.gov/pubmed/21579805
http://dx.doi.org/10.1107/S1600536810001352
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author Jasinski, Jerry P.
Butcher, Ray J.
Hakim Al-arique, Q. N. M.
Yathirajan, H. S.
Narayana, B.
author_facet Jasinski, Jerry P.
Butcher, Ray J.
Hakim Al-arique, Q. N. M.
Yathirajan, H. S.
Narayana, B.
author_sort Jasinski, Jerry P.
collection PubMed
description In the title compound, C(9)H(8)O(3), the dihedral angle between the mean planes of the benzene and dioxole rings is 1.4 (8)°, with the dioxole group in a slightly distorted envelope configuration with the flap C atom displaced by 0.0645 Å from the plane through the other four atoms. In the crystal, weak inter­molecular C—H⋯O hydrogen-bond inter­actions link the mol­ecules into chains propagating in [011]. The crystal packing exhibits weak π–π inter­actions as evidenced by the relatively short distances [3.801 (9) Å] between the centroids of adjacent benzene rings.
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spelling pubmed-29796892010-12-30 1-(1,3-Benzodioxol-5-yl)ethanone Jasinski, Jerry P. Butcher, Ray J. Hakim Al-arique, Q. N. M. Yathirajan, H. S. Narayana, B. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(9)H(8)O(3), the dihedral angle between the mean planes of the benzene and dioxole rings is 1.4 (8)°, with the dioxole group in a slightly distorted envelope configuration with the flap C atom displaced by 0.0645 Å from the plane through the other four atoms. In the crystal, weak inter­molecular C—H⋯O hydrogen-bond inter­actions link the mol­ecules into chains propagating in [011]. The crystal packing exhibits weak π–π inter­actions as evidenced by the relatively short distances [3.801 (9) Å] between the centroids of adjacent benzene rings. International Union of Crystallography 2010-01-16 /pmc/articles/PMC2979689/ /pubmed/21579805 http://dx.doi.org/10.1107/S1600536810001352 Text en © Jasinski et al. 2010 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 Organic Papers
Jasinski, Jerry P.
Butcher, Ray J.
Hakim Al-arique, Q. N. M.
Yathirajan, H. S.
Narayana, B.
1-(1,3-Benzodioxol-5-yl)ethanone
title 1-(1,3-Benzodioxol-5-yl)ethanone
title_full 1-(1,3-Benzodioxol-5-yl)ethanone
title_fullStr 1-(1,3-Benzodioxol-5-yl)ethanone
title_full_unstemmed 1-(1,3-Benzodioxol-5-yl)ethanone
title_short 1-(1,3-Benzodioxol-5-yl)ethanone
title_sort 1-(1,3-benzodioxol-5-yl)ethanone
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2979689/
https://www.ncbi.nlm.nih.gov/pubmed/21579805
http://dx.doi.org/10.1107/S1600536810001352
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