Orphenadrinium picrate
In the title molecular salt {systematic name: N,N-dimethyl-2-[(2-methylphenyl)(phenyl)methoxy]ethanaminium 2,4,6-trinitrophenolate}, C18H24NO+·C6H2N3O7−, the phenyl rings of the orphenadrinum cation are disordered [occupancies = 0.662 (4) and 0.338&#8...
| Main Authors: | , , , , |
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| Format: | Article |
| Language: | English |
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International Union of Crystallography
2011-01-01
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| Series: | Acta Crystallographica Section E |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S1600536810049937 |
| _version_ | 1818791571072483328 |
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| author | H. S. Yathirajan B. P. Siddaraju Ray J. Butcher Jerry P. Jasinski B. Narayana |
| author_facet | H. S. Yathirajan B. P. Siddaraju Ray J. Butcher Jerry P. Jasinski B. Narayana |
| author_sort | H. S. Yathirajan |
| collection | DOAJ |
| description | In the title molecular salt {systematic name: N,N-dimethyl-2-[(2-methylphenyl)(phenyl)methoxy]ethanaminium 2,4,6-trinitrophenolate}, C18H24NO+·C6H2N3O7−, 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 R12(6) ring motif with an adjacent cation. The mean planes of the two o-NO2 and single p-NO2 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. |
| first_indexed | 2024-12-18T15:13:28Z |
| format | Article |
| id | doaj.art-c32bea49155c41e78d652424cea91af8 |
| institution | Directory Open Access Journal |
| issn | 1600-5368 |
| language | English |
| last_indexed | 2024-12-18T15:13:28Z |
| publishDate | 2011-01-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | Acta Crystallographica Section E |
| spelling | doaj.art-c32bea49155c41e78d652424cea91af82022-12-21T21:03:35ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682011-01-01671o190o19110.1107/S1600536810049937Orphenadrinium picrateH. S. YathirajanB. P. SiddarajuRay J. ButcherJerry P. JasinskiB. NarayanaIn the title molecular salt {systematic name: N,N-dimethyl-2-[(2-methylphenyl)(phenyl)methoxy]ethanaminium 2,4,6-trinitrophenolate}, C18H24NO+·C6H2N3O7−, 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 R12(6) ring motif with an adjacent cation. The mean planes of the two o-NO2 and single p-NO2 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.http://scripts.iucr.org/cgi-bin/paper?S1600536810049937 |
| spellingShingle | H. S. Yathirajan B. P. Siddaraju Ray J. Butcher Jerry P. Jasinski B. Narayana Orphenadrinium picrate Acta Crystallographica Section E |
| title | Orphenadrinium picrate |
| title_full | Orphenadrinium picrate |
| title_fullStr | Orphenadrinium picrate |
| title_full_unstemmed | Orphenadrinium picrate |
| title_short | Orphenadrinium picrate |
| title_sort | orphenadrinium picrate |
| url | http://scripts.iucr.org/cgi-bin/paper?S1600536810049937 |
| work_keys_str_mv | AT hsyathirajan orphenadriniumpicrate AT bpsiddaraju orphenadriniumpicrate AT rayjbutcher orphenadriniumpicrate AT jerrypjasinski orphenadriniumpicrate AT bnarayana orphenadriniumpicrate |