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N,N,N′-Trimethyl-N′′-(4-nitro­phen­yl)-N′-phenyl­guanidine

The C—N bond lengths in the guanidine unit of the title compound, C(16)H(18)N(4)O(2), are 1.298 (2), 1.353 (2) and 1.401 (3) Å, indicating double- and single-bond character. The N—C—N angles are 115.81 (16), 118.90 (18) and 125.16 (18)°, showing a deviation of the CN(3) plane from an ideal trigonal–...

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Detalles Bibliográficos
Autores principales: Tiritiris, Ioannis, Frey, Wolfgang, Kantlehner, Willi
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2014
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4011204/
https://www.ncbi.nlm.nih.gov/pubmed/24860331
http://dx.doi.org/10.1107/S160053681400693X
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author Tiritiris, Ioannis
Frey, Wolfgang
Kantlehner, Willi
author_facet Tiritiris, Ioannis
Frey, Wolfgang
Kantlehner, Willi
author_sort Tiritiris, Ioannis
collection PubMed
description The C—N bond lengths in the guanidine unit of the title compound, C(16)H(18)N(4)O(2), are 1.298 (2), 1.353 (2) and 1.401 (3) Å, indicating double- and single-bond character. The N—C—N angles are 115.81 (16), 118.90 (18) and 125.16 (18)°, showing a deviation of the CN(3) plane from an ideal trigonal–planar geometry. In the crystal, C—H⋯O hydrogen bonds are observed between the methyl- and aromatic-H atoms and nitro-O atoms. One H atom of the phenyl ring and of the NMe(2) group associate with the O atoms of the nitro group, giving chains along the a- and b-axis directions. Cross-linking of these two chains results in a two-dimensional network along bc.
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spelling pubmed-40112042014-05-23 N,N,N′-Trimethyl-N′′-(4-nitro­phen­yl)-N′-phenyl­guanidine Tiritiris, Ioannis Frey, Wolfgang Kantlehner, Willi Acta Crystallogr Sect E Struct Rep Online Organic Papers The C—N bond lengths in the guanidine unit of the title compound, C(16)H(18)N(4)O(2), are 1.298 (2), 1.353 (2) and 1.401 (3) Å, indicating double- and single-bond character. The N—C—N angles are 115.81 (16), 118.90 (18) and 125.16 (18)°, showing a deviation of the CN(3) plane from an ideal trigonal–planar geometry. In the crystal, C—H⋯O hydrogen bonds are observed between the methyl- and aromatic-H atoms and nitro-O atoms. One H atom of the phenyl ring and of the NMe(2) group associate with the O atoms of the nitro group, giving chains along the a- and b-axis directions. Cross-linking of these two chains results in a two-dimensional network along bc. International Union of Crystallography 2014-04-05 /pmc/articles/PMC4011204/ /pubmed/24860331 http://dx.doi.org/10.1107/S160053681400693X Text en © Tiritiris 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 Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Organic Papers
Tiritiris, Ioannis
Frey, Wolfgang
Kantlehner, Willi
N,N,N′-Trimethyl-N′′-(4-nitro­phen­yl)-N′-phenyl­guanidine
title N,N,N′-Trimethyl-N′′-(4-nitro­phen­yl)-N′-phenyl­guanidine
title_full N,N,N′-Trimethyl-N′′-(4-nitro­phen­yl)-N′-phenyl­guanidine
title_fullStr N,N,N′-Trimethyl-N′′-(4-nitro­phen­yl)-N′-phenyl­guanidine
title_full_unstemmed N,N,N′-Trimethyl-N′′-(4-nitro­phen­yl)-N′-phenyl­guanidine
title_short N,N,N′-Trimethyl-N′′-(4-nitro­phen­yl)-N′-phenyl­guanidine
title_sort n,n,n′-trimethyl-n′′-(4-nitro­phen­yl)-n′-phenyl­guanidine
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4011204/
https://www.ncbi.nlm.nih.gov/pubmed/24860331
http://dx.doi.org/10.1107/S160053681400693X
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