Cargando…
(2Z,2′Z)-Diethyl 3,3′-[butane-1,4-diylbis(azanediyl)]bis(but-2-enoate)
The whole molecule of the title β-enaminoester, C(16)H(28)N(2)O(4), is generated by a crystallographic inversion center, situated at the mid-point of the central C—C bond of the 1,4-diaminobutane segment. There are two intramolecular N—H⋯O hydrogen bonds that generate S(6) ring motifs. This lead...
Autores principales: | , , , , |
---|---|
Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2012
|
Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3470214/ https://www.ncbi.nlm.nih.gov/pubmed/23125658 http://dx.doi.org/10.1107/S1600536812036823 |
_version_ | 1782246221532889088 |
---|---|
author | Harrad, Mohamed Anouar Boualy, Brahim Ali, Mustapha Ait El Firdoussi, Larbi Stoeckli-Evans, Helen |
author_facet | Harrad, Mohamed Anouar Boualy, Brahim Ali, Mustapha Ait El Firdoussi, Larbi Stoeckli-Evans, Helen |
author_sort | Harrad, Mohamed Anouar |
collection | PubMed |
description | The whole molecule of the title β-enaminoester, C(16)H(28)N(2)O(4), is generated by a crystallographic inversion center, situated at the mid-point of the central C—C bond of the 1,4-diaminobutane segment. There are two intramolecular N—H⋯O hydrogen bonds that generate S(6) ring motifs. This leads to the Z conformation about the C=C bonds [1.3756 (17) Å]. The molecule is S-shaped with the planar central 1,4-diaminobutane segment [maximum deviation for non H-atoms = 0.0058 (13) Å] being inclined to the ethyl butylenonate fragment [C—C—O—C—C=C—C; maximum deviation = 0.0710 (12) Å] by 15.56 (10)°. In the crystal, molecules are linked via C—H⋯O interactions, leading to the formation of an undulating two-dimensional network lying parallel to the bc plane. |
format | Online Article Text |
id | pubmed-3470214 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2012 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-34702142012-11-02 (2Z,2′Z)-Diethyl 3,3′-[butane-1,4-diylbis(azanediyl)]bis(but-2-enoate) Harrad, Mohamed Anouar Boualy, Brahim Ali, Mustapha Ait El Firdoussi, Larbi Stoeckli-Evans, Helen Acta Crystallogr Sect E Struct Rep Online Organic Papers The whole molecule of the title β-enaminoester, C(16)H(28)N(2)O(4), is generated by a crystallographic inversion center, situated at the mid-point of the central C—C bond of the 1,4-diaminobutane segment. There are two intramolecular N—H⋯O hydrogen bonds that generate S(6) ring motifs. This leads to the Z conformation about the C=C bonds [1.3756 (17) Å]. The molecule is S-shaped with the planar central 1,4-diaminobutane segment [maximum deviation for non H-atoms = 0.0058 (13) Å] being inclined to the ethyl butylenonate fragment [C—C—O—C—C=C—C; maximum deviation = 0.0710 (12) Å] by 15.56 (10)°. In the crystal, molecules are linked via C—H⋯O interactions, leading to the formation of an undulating two-dimensional network lying parallel to the bc plane. International Union of Crystallography 2012-09-05 /pmc/articles/PMC3470214/ /pubmed/23125658 http://dx.doi.org/10.1107/S1600536812036823 Text en © Harrad et al. 2012 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 Harrad, Mohamed Anouar Boualy, Brahim Ali, Mustapha Ait El Firdoussi, Larbi Stoeckli-Evans, Helen (2Z,2′Z)-Diethyl 3,3′-[butane-1,4-diylbis(azanediyl)]bis(but-2-enoate) |
title | (2Z,2′Z)-Diethyl 3,3′-[butane-1,4-diylbis(azanediyl)]bis(but-2-enoate) |
title_full | (2Z,2′Z)-Diethyl 3,3′-[butane-1,4-diylbis(azanediyl)]bis(but-2-enoate) |
title_fullStr | (2Z,2′Z)-Diethyl 3,3′-[butane-1,4-diylbis(azanediyl)]bis(but-2-enoate) |
title_full_unstemmed | (2Z,2′Z)-Diethyl 3,3′-[butane-1,4-diylbis(azanediyl)]bis(but-2-enoate) |
title_short | (2Z,2′Z)-Diethyl 3,3′-[butane-1,4-diylbis(azanediyl)]bis(but-2-enoate) |
title_sort | (2z,2′z)-diethyl 3,3′-[butane-1,4-diylbis(azanediyl)]bis(but-2-enoate) |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3470214/ https://www.ncbi.nlm.nih.gov/pubmed/23125658 http://dx.doi.org/10.1107/S1600536812036823 |
work_keys_str_mv | AT harradmohamedanouar 2z2zdiethyl33butane14diylbisazanediylbisbut2enoate AT boualybrahim 2z2zdiethyl33butane14diylbisazanediylbisbut2enoate AT alimustaphaait 2z2zdiethyl33butane14diylbisazanediylbisbut2enoate AT elfirdoussilarbi 2z2zdiethyl33butane14diylbisazanediylbisbut2enoate AT stoecklievanshelen 2z2zdiethyl33butane14diylbisazanediylbisbut2enoate |