Crystal structures of 2,5-di­azido-1,4-phenyl­ene di­acetate and 2,5-di­azido-1,4-phenyl­ene dibutyrate

The asymmetric units of the title compounds, C(10)H(8)N(6)O(4), (I), and C(14)H(16)N(6)O(4), (II), each contain half of the respective mol­ecule which is completed by inversion symmetry. The two molecules differ in the ester moiety (acetate versus butyrate) and the crystal symmetry is different, i.e...

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Autores principales: Glöcklhofer, Florian, Fröhlich, Johannes, Stöger, Berthold, Weil, Matthias
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2014
Materias:
Research Communications
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4120540/
https://www.ncbi.nlm.nih.gov/pubmed/25161502
http://dx.doi.org/10.1107/S1600536814013762
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author Glöcklhofer, Florian
Fröhlich, Johannes
Stöger, Berthold
Weil, Matthias
author_facet Glöcklhofer, Florian
Fröhlich, Johannes
Stöger, Berthold
Weil, Matthias
author_sort Glöcklhofer, Florian
collection PubMed
description The asymmetric units of the title compounds, C(10)H(8)N(6)O(4), (I), and C(14)H(16)N(6)O(4), (II), each contain half of the respective mol­ecule which is completed by inversion symmetry. The two molecules differ in the ester moiety (acetate versus butyrate) and the crystal symmetry is different, i.e. triclinic for (I) and monoclinic for (II). The di­azido­phenyl­ene moieties are essentially planar [maximum deviation of 0.0216 (7) Å for (I) and 0.0330 (14) Å for (II)], and the ester functionalities are almost perpendicular to these planes, making dihedral angles of 79.93 (3)° for (I) and 79.42 (6)° for (II). In the crystals of both (I) and (II), there are no significant inter­molecular inter­actions present.
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spelling pubmed-41205402014-08-26 Crystal structures of 2,5-di­azido-1,4-phenyl­ene di­acetate and 2,5-di­azido-1,4-phenyl­ene dibutyrate Glöcklhofer, Florian Fröhlich, Johannes Stöger, Berthold Weil, Matthias Acta Crystallogr Sect E Struct Rep Online Research Communications The asymmetric units of the title compounds, C(10)H(8)N(6)O(4), (I), and C(14)H(16)N(6)O(4), (II), each contain half of the respective mol­ecule which is completed by inversion symmetry. The two molecules differ in the ester moiety (acetate versus butyrate) and the crystal symmetry is different, i.e. triclinic for (I) and monoclinic for (II). The di­azido­phenyl­ene moieties are essentially planar [maximum deviation of 0.0216 (7) Å for (I) and 0.0330 (14) Å for (II)], and the ester functionalities are almost perpendicular to these planes, making dihedral angles of 79.93 (3)° for (I) and 79.42 (6)° for (II). In the crystals of both (I) and (II), there are no significant inter­molecular inter­actions present. International Union of Crystallography 2014-06-23 /pmc/articles/PMC4120540/ /pubmed/25161502 http://dx.doi.org/10.1107/S1600536814013762 Text en © Glöcklhofer et al. 2014 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.http://creativecommons.org/licenses/by/2.0/uk/
spellingShingle Research Communications
Glöcklhofer, Florian
Fröhlich, Johannes
Stöger, Berthold
Weil, Matthias
Crystal structures of 2,5-di­azido-1,4-phenyl­ene di­acetate and 2,5-di­azido-1,4-phenyl­ene dibutyrate
title Crystal structures of 2,5-di­azido-1,4-phenyl­ene di­acetate and 2,5-di­azido-1,4-phenyl­ene dibutyrate
title_full Crystal structures of 2,5-di­azido-1,4-phenyl­ene di­acetate and 2,5-di­azido-1,4-phenyl­ene dibutyrate
title_fullStr Crystal structures of 2,5-di­azido-1,4-phenyl­ene di­acetate and 2,5-di­azido-1,4-phenyl­ene dibutyrate
title_full_unstemmed Crystal structures of 2,5-di­azido-1,4-phenyl­ene di­acetate and 2,5-di­azido-1,4-phenyl­ene dibutyrate
title_short Crystal structures of 2,5-di­azido-1,4-phenyl­ene di­acetate and 2,5-di­azido-1,4-phenyl­ene dibutyrate
title_sort crystal structures of 2,5-di­azido-1,4-phenyl­ene di­acetate and 2,5-di­azido-1,4-phenyl­ene dibutyrate
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4120540/
https://www.ncbi.nlm.nih.gov/pubmed/25161502
http://dx.doi.org/10.1107/S1600536814013762
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