1-Piperonylpiperazinium 4-chlorobenzoate
In the title salt {systematic name: 1-[(1,3-benzodioxol-5-yl)methyl]piperazin-1-ium 4-chlorobenzoate}, C12H17N2O2+·C7H4ClO2−, the piperazine ring adopts a slightly disordered chair conformation. The dioxole ring is in a flattened envelope conformation with the methylene C atom forming the flap. The...
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International Union of Crystallography
2014-03-01
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| Series: | Acta Crystallographica Section E |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S1600536814002037 |
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doaj-df232bcdb22a4fc892ac90626c62798c2020-11-25T02:01:06ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682014-03-01703o283o28410.1107/S1600536814002037lh56871-Piperonylpiperazinium 4-chlorobenzoateChannappa N. Kavitha0Manpreet Kaur1Brian J. Anderson2Jerry P. Jasinski3H. S. Yathirajan4Department of Studies in Chemistry, University of Mysore, Manasagangotri, Mysore 570 006, IndiaDepartment of Studies in Chemistry, University of Mysore, Manasagangotri, Mysore 570 006, IndiaDepartment of Chemistry, Keene State College, 229 Main Street, Keene, NH 03435-2001, USADepartment of Chemistry, Keene State College, 229 Main Street, Keene, NH 03435-2001, USADepartment of Studies in Chemistry, University of Mysore, Manasagangotri, Mysore 570 006, IndiaIn the title salt {systematic name: 1-[(1,3-benzodioxol-5-yl)methyl]piperazin-1-ium 4-chlorobenzoate}, C12H17N2O2+·C7H4ClO2−, the piperazine ring adopts a slightly disordered chair conformation. The dioxole ring is in a flattened envelope conformation with the methylene C atom forming the flap. The relative orientation of the piperonyl ring system and the piperazine rings is reflected in the N—C—C...;C torsion angle of 132.3 (1)°. In the anion, the mean plane of the carboxylate group is twisted from that of the benzene ring by 14.8 (9)°. In the crystal, the components are linked by N—H...O and weak C—H...O hydrogen bonds, forming chains along [010].http://scripts.iucr.org/cgi-bin/paper?S1600536814002037 |
| collection |
DOAJ |
| language |
English |
| format |
Article |
| sources |
DOAJ |
| author |
Channappa N. Kavitha Manpreet Kaur Brian J. Anderson Jerry P. Jasinski H. S. Yathirajan |
| spellingShingle |
Channappa N. Kavitha Manpreet Kaur Brian J. Anderson Jerry P. Jasinski H. S. Yathirajan 1-Piperonylpiperazinium 4-chlorobenzoate Acta Crystallographica Section E |
| author_facet |
Channappa N. Kavitha Manpreet Kaur Brian J. Anderson Jerry P. Jasinski H. S. Yathirajan |
| author_sort |
Channappa N. Kavitha |
| title |
1-Piperonylpiperazinium 4-chlorobenzoate |
| title_short |
1-Piperonylpiperazinium 4-chlorobenzoate |
| title_full |
1-Piperonylpiperazinium 4-chlorobenzoate |
| title_fullStr |
1-Piperonylpiperazinium 4-chlorobenzoate |
| title_full_unstemmed |
1-Piperonylpiperazinium 4-chlorobenzoate |
| title_sort |
1-piperonylpiperazinium 4-chlorobenzoate |
| publisher |
International Union of Crystallography |
| series |
Acta Crystallographica Section E |
| issn |
1600-5368 |
| publishDate |
2014-03-01 |
| description |
In the title salt {systematic name: 1-[(1,3-benzodioxol-5-yl)methyl]piperazin-1-ium 4-chlorobenzoate}, C12H17N2O2+·C7H4ClO2−, the piperazine ring adopts a slightly disordered chair conformation. The dioxole ring is in a flattened envelope conformation with the methylene C atom forming the flap. The relative orientation of the piperonyl ring system and the piperazine rings is reflected in the N—C—C...;C torsion angle of 132.3 (1)°. In the anion, the mean plane of the carboxylate group is twisted from that of the benzene ring by 14.8 (9)°. In the crystal, the components are linked by N—H...O and weak C—H...O hydrogen bonds, forming chains along [010]. |
| url |
http://scripts.iucr.org/cgi-bin/paper?S1600536814002037 |
| work_keys_str_mv |
AT channappankavitha 1piperonylpiperazinium4chlorobenzoate AT manpreetkaur 1piperonylpiperazinium4chlorobenzoate AT brianjanderson 1piperonylpiperazinium4chlorobenzoate AT jerrypjasinski 1piperonylpiperazinium4chlorobenzoate AT hsyathirajan 1piperonylpiperazinium4chlorobenzoate |
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