4-(Prop-2-yn-1-yl­oxy)benzaldehyde

In the title mol­ecule, C(10)H(8)O(2), all non-H atoms are essentailly coplanar (r.m.s. deviation = 0.0192 Å), indicating an effective conjugation of the carbonyl group, the benzene ring and the lone pair of the propyn­yloxy O atom. In the crystal, π–π stacking inter­actions [centroid–centroid dista...

Descripción completa

Detalles Bibliográficos
Autores principales: Doi, Ikue, Okuno, Tsunehisa
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3588297/
https://www.ncbi.nlm.nih.gov/pubmed/23476386
http://dx.doi.org/10.1107/S1600536812050866
_version_ 1782261533524361216
author Doi, Ikue
Okuno, Tsunehisa
author_facet Doi, Ikue
Okuno, Tsunehisa
author_sort Doi, Ikue
collection PubMed
description In the title mol­ecule, C(10)H(8)O(2), all non-H atoms are essentailly coplanar (r.m.s. deviation = 0.0192 Å), indicating an effective conjugation of the carbonyl group, the benzene ring and the lone pair of the propyn­yloxy O atom. In the crystal, π–π stacking inter­actions [centroid–centroid distance = 3.5585 (15) Å] connect mol­ecules into inversion dimers which are linked by Csp—H⋯O=C hydrogen bonds, forming a ladder-like structure.
format Online
Article
Text
id pubmed-3588297
institution National Center for Biotechnology Information
language English
publishDate 2012
publisher International Union of Crystallography
record_format MEDLINE/PubMed
spelling pubmed-35882972013-03-08 4-(Prop-2-yn-1-yl­oxy)benzaldehyde Doi, Ikue Okuno, Tsunehisa Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title mol­ecule, C(10)H(8)O(2), all non-H atoms are essentailly coplanar (r.m.s. deviation = 0.0192 Å), indicating an effective conjugation of the carbonyl group, the benzene ring and the lone pair of the propyn­yloxy O atom. In the crystal, π–π stacking inter­actions [centroid–centroid distance = 3.5585 (15) Å] connect mol­ecules into inversion dimers which are linked by Csp—H⋯O=C hydrogen bonds, forming a ladder-like structure. International Union of Crystallography 2012-12-22 /pmc/articles/PMC3588297/ /pubmed/23476386 http://dx.doi.org/10.1107/S1600536812050866 Text en © Doi and Okuno 2013 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
Doi, Ikue
Okuno, Tsunehisa
4-(Prop-2-yn-1-yl­oxy)benzaldehyde
title 4-(Prop-2-yn-1-yl­oxy)benzaldehyde
title_full 4-(Prop-2-yn-1-yl­oxy)benzaldehyde
title_fullStr 4-(Prop-2-yn-1-yl­oxy)benzaldehyde
title_full_unstemmed 4-(Prop-2-yn-1-yl­oxy)benzaldehyde
title_short 4-(Prop-2-yn-1-yl­oxy)benzaldehyde
title_sort 4-(prop-2-yn-1-yl­oxy)benzaldehyde
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3588297/
https://www.ncbi.nlm.nih.gov/pubmed/23476386
http://dx.doi.org/10.1107/S1600536812050866
work_keys_str_mv AT doiikue 4prop2yn1yloxybenzaldehyde
AT okunotsunehisa 4prop2yn1yloxybenzaldehyde

Ejemplares similares