2,5-Di­meth­oxy­benzo­nitrile

In the title mol­ecule, C(9)H(9)NO(2), the non-H atoms are essentially coplanar with a maximum deviation of 0.027 (2) Å for the C atom of one of the methyl groups. In the crystal, the mol­ecules are arranged into centrosymmetric pairs via pairs of C—H⋯O and C—H⋯N inter­actions whereas π–π stacking i...

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Detalles Bibliográficos
Autores principales: Bugenhagen, Bernhard, Al Jasem, Yosef, Thiemann, Thies
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2013
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3885063/
https://www.ncbi.nlm.nih.gov/pubmed/24454239
http://dx.doi.org/10.1107/S1600536813031309
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author Bugenhagen, Bernhard
Al Jasem, Yosef
Thiemann, Thies
author_facet Bugenhagen, Bernhard
Al Jasem, Yosef
Thiemann, Thies
author_sort Bugenhagen, Bernhard
collection PubMed
description In the title mol­ecule, C(9)H(9)NO(2), the non-H atoms are essentially coplanar with a maximum deviation of 0.027 (2) Å for the C atom of one of the methyl groups. In the crystal, the mol­ecules are arranged into centrosymmetric pairs via pairs of C—H⋯O and C—H⋯N inter­actions whereas π–π stacking inter­actions between the benzene rings [centroid–centroid distance 3.91001 (15) Å] organize them into polymeric strands propagating along the a-axis direction. There is a step of 0.644 (2) Å between the two planar parts of the centrosymmetric pair. In neighboring strands related by the n-glide operation, the aromatic rings are tilted by 29.08 (2)°.
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spelling pubmed-38850632014-01-17 2,5-Di­meth­oxy­benzo­nitrile Bugenhagen, Bernhard Al Jasem, Yosef Thiemann, Thies Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title mol­ecule, C(9)H(9)NO(2), the non-H atoms are essentially coplanar with a maximum deviation of 0.027 (2) Å for the C atom of one of the methyl groups. In the crystal, the mol­ecules are arranged into centrosymmetric pairs via pairs of C—H⋯O and C—H⋯N inter­actions whereas π–π stacking inter­actions between the benzene rings [centroid–centroid distance 3.91001 (15) Å] organize them into polymeric strands propagating along the a-axis direction. There is a step of 0.644 (2) Å between the two planar parts of the centrosymmetric pair. In neighboring strands related by the n-glide operation, the aromatic rings are tilted by 29.08 (2)°. International Union of Crystallography 2013-11-23 /pmc/articles/PMC3885063/ /pubmed/24454239 http://dx.doi.org/10.1107/S1600536813031309 Text en © Bugenhagen et al. 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
Bugenhagen, Bernhard
Al Jasem, Yosef
Thiemann, Thies
2,5-Di­meth­oxy­benzo­nitrile
title 2,5-Di­meth­oxy­benzo­nitrile
title_full 2,5-Di­meth­oxy­benzo­nitrile
title_fullStr 2,5-Di­meth­oxy­benzo­nitrile
title_full_unstemmed 2,5-Di­meth­oxy­benzo­nitrile
title_short 2,5-Di­meth­oxy­benzo­nitrile
title_sort 2,5-di­meth­oxy­benzo­nitrile
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3885063/
https://www.ncbi.nlm.nih.gov/pubmed/24454239
http://dx.doi.org/10.1107/S1600536813031309
work_keys_str_mv AT bugenhagenbernhard 25dimethoxybenzonitrile
AT aljasemyosef 25dimethoxybenzonitrile
AT thiemannthies 25dimethoxybenzonitrile

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