Cargando…

Orphenadrinium picrate

In the title molecular salt {systematic name: N,N-dimethyl-2-[(2-methyl­phen­yl)(phen­yl)meth­oxy]ethanaminium 2,4,6-tri­nitro­phenolate}, C(18)H(24)NO(+)·C(6)H(2)N(3)O(7) (−), the phenyl rings of the orphenadrinum cation are disordered [occupancies = 0.662 (4) and 0.338 (4)]. The N atom in the orph...

Descripción completa

Detalles Bibliográficos
Autores principales: Jasinski, Jerry P., Butcher, Ray J., Siddaraju, B. P., Yathirajan, H. S., Narayana, B.
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3050380/
https://www.ncbi.nlm.nih.gov/pubmed/21522693
http://dx.doi.org/10.1107/S1600536810049937
_version_ 1782199350622945280
author Jasinski, Jerry P.
Butcher, Ray J.
Siddaraju, B. P.
Yathirajan, H. S.
Narayana, B.
author_facet Jasinski, Jerry P.
Butcher, Ray J.
Siddaraju, B. P.
Yathirajan, H. S.
Narayana, B.
author_sort Jasinski, Jerry P.
collection PubMed
description In the title molecular salt {systematic name: N,N-dimethyl-2-[(2-methyl­phen­yl)(phen­yl)meth­oxy]ethanaminium 2,4,6-tri­nitro­phenolate}, C(18)H(24)NO(+)·C(6)H(2)N(3)O(7) (−), the phenyl rings of the orphenadrinum cation are disordered [occupancies = 0.662 (4) and 0.338 (4)]. The N atom in the orphenadrinum cation is protonated. The picrate anion inter­acts with the protonated N atom through a bifurcated N—H⋯O hydrogen bond, forming an R (1) (2)(6) ring motif with an adjacent cation. The mean planes of the two o-NO(2) and single p-NO(2) groups in the picrate anion are twisted by 23.0 (6), 31.3 (3) and 6.3 (2)° with respect to the mean planes of the six-membered ring. Weak inter­molecular C—H⋯O hydrogen bonds, C—H⋯π inter­molecular inter­actions and weak π–π stacking inter­actions [centroid–centroid distances = 3.677 (2) and 3.515 (3) Å} stabilize the crystal packing, creating a three-dimensional network.
format Text
id pubmed-3050380
institution National Center for Biotechnology Information
language English
publishDate 2010
publisher International Union of Crystallography
record_format MEDLINE/PubMed
spelling pubmed-30503802011-04-26 Orphenadrinium picrate Jasinski, Jerry P. Butcher, Ray J. Siddaraju, B. P. Yathirajan, H. S. Narayana, B. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title molecular salt {systematic name: N,N-dimethyl-2-[(2-methyl­phen­yl)(phen­yl)meth­oxy]ethanaminium 2,4,6-tri­nitro­phenolate}, C(18)H(24)NO(+)·C(6)H(2)N(3)O(7) (−), the phenyl rings of the orphenadrinum cation are disordered [occupancies = 0.662 (4) and 0.338 (4)]. The N atom in the orphenadrinum cation is protonated. The picrate anion inter­acts with the protonated N atom through a bifurcated N—H⋯O hydrogen bond, forming an R (1) (2)(6) ring motif with an adjacent cation. The mean planes of the two o-NO(2) and single p-NO(2) groups in the picrate anion are twisted by 23.0 (6), 31.3 (3) and 6.3 (2)° with respect to the mean planes of the six-membered ring. Weak inter­molecular C—H⋯O hydrogen bonds, C—H⋯π inter­molecular inter­actions and weak π–π stacking inter­actions [centroid–centroid distances = 3.677 (2) and 3.515 (3) Å} stabilize the crystal packing, creating a three-dimensional network. International Union of Crystallography 2010-12-18 /pmc/articles/PMC3050380/ /pubmed/21522693 http://dx.doi.org/10.1107/S1600536810049937 Text en © Jasinski et al. 2011 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
Jasinski, Jerry P.
Butcher, Ray J.
Siddaraju, B. P.
Yathirajan, H. S.
Narayana, B.
Orphenadrinium picrate
title Orphenadrinium picrate
title_full Orphenadrinium picrate
title_fullStr Orphenadrinium picrate
title_full_unstemmed Orphenadrinium picrate
title_short Orphenadrinium picrate
title_sort orphenadrinium picrate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3050380/
https://www.ncbi.nlm.nih.gov/pubmed/21522693
http://dx.doi.org/10.1107/S1600536810049937
work_keys_str_mv AT jasinskijerryp orphenadriniumpicrate
AT butcherrayj orphenadriniumpicrate
AT siddarajubp orphenadriniumpicrate
AT yathirajanhs orphenadriniumpicrate
AT narayanab orphenadriniumpicrate