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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–...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2014
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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. |
format | Online Article Text |
id | pubmed-4011204 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2014 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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