Cinnarizinium fumarate
In the title salt {systematic name: 4-diphenylmethyl-1-[(E)-3-phenylprop-2-en-1-yl]piperazin-1-ium (2Z)-3-carboxyprop-2-enoate}, C26H29N2+·C4H3O4−, the piperazine ring in the cation adopts a distorted chair conformation and contains a positively charged N atom with quaternary char...
| Main Authors: | , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
International Union of Crystallography
2013-01-01
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| Series: | Acta Crystallographica Section E |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S1600536812051239 |
| _version_ | 1819002513193435136 |
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| author | H. S. Yathirajan Jerry P. Jasinski Sema Ōztūrk Yildirim C. N. Kavitha Ray J. Butcher |
| author_facet | H. S. Yathirajan Jerry P. Jasinski Sema Ōztūrk Yildirim C. N. Kavitha Ray J. Butcher |
| author_sort | H. S. Yathirajan |
| collection | DOAJ |
| description | In the title salt {systematic name: 4-diphenylmethyl-1-[(E)-3-phenylprop-2-en-1-yl]piperazin-1-ium (2Z)-3-carboxyprop-2-enoate}, C26H29N2+·C4H3O4−, the piperazine ring in the cation adopts a distorted chair conformation and contains a positively charged N atom with quaternary character. The dihedral angle between the mean planes of the phenyl rings of the diphenylmethyl group is 74.2 (7)° and those between these rings and the phenyl ring of the 3-phenylprop-2-en-1-yl group are 12.7 (9) and 80.6 (8)°. In the crystal, N—H...O and O—H...O hydrogen bonds form chains along [001]. Weak C—H...O interactions connect parallel chains along [010], forming layers perpendicular to the a-axis direction. |
| first_indexed | 2024-12-20T23:06:18Z |
| format | Article |
| id | doaj.art-ff16dc0fee754241bc2738289e739c59 |
| institution | Directory Open Access Journal |
| issn | 1600-5368 |
| language | English |
| last_indexed | 2024-12-20T23:06:18Z |
| publishDate | 2013-01-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | Acta Crystallographica Section E |
| spelling | doaj.art-ff16dc0fee754241bc2738289e739c592022-12-21T19:23:51ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682013-01-01691o142o14310.1107/S1600536812051239Cinnarizinium fumarateH. S. YathirajanJerry P. JasinskiSema Ōztūrk YildirimC. N. KavithaRay J. ButcherIn the title salt {systematic name: 4-diphenylmethyl-1-[(E)-3-phenylprop-2-en-1-yl]piperazin-1-ium (2Z)-3-carboxyprop-2-enoate}, C26H29N2+·C4H3O4−, the piperazine ring in the cation adopts a distorted chair conformation and contains a positively charged N atom with quaternary character. The dihedral angle between the mean planes of the phenyl rings of the diphenylmethyl group is 74.2 (7)° and those between these rings and the phenyl ring of the 3-phenylprop-2-en-1-yl group are 12.7 (9) and 80.6 (8)°. In the crystal, N—H...O and O—H...O hydrogen bonds form chains along [001]. Weak C—H...O interactions connect parallel chains along [010], forming layers perpendicular to the a-axis direction.http://scripts.iucr.org/cgi-bin/paper?S1600536812051239 |
| spellingShingle | H. S. Yathirajan Jerry P. Jasinski Sema Ōztūrk Yildirim C. N. Kavitha Ray J. Butcher Cinnarizinium fumarate Acta Crystallographica Section E |
| title | Cinnarizinium fumarate |
| title_full | Cinnarizinium fumarate |
| title_fullStr | Cinnarizinium fumarate |
| title_full_unstemmed | Cinnarizinium fumarate |
| title_short | Cinnarizinium fumarate |
| title_sort | cinnarizinium fumarate |
| url | http://scripts.iucr.org/cgi-bin/paper?S1600536812051239 |
| work_keys_str_mv | AT hsyathirajan cinnariziniumfumarate AT jerrypjasinski cinnariziniumfumarate AT sema332zt363rkyildirim cinnariziniumfumarate AT cnkavitha cinnariziniumfumarate AT rayjbutcher cinnariziniumfumarate |