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Article: Amitriptylinium picrate: Conformational disorder

TitleAmitriptylinium picrate: Conformational disorder
Authors
Issue Date2007
PublisherInternational Union of Crystallography. The Journal's web site is located at http://www.wiley.com/bw/editors.asp?ref=0108-2701&site=1
Citation
Acta Crystallographica Section C: Crystal Structure Communications, 2007, v. 63 n. 9, p. o546-o548 How to Cite?
AbstractIn the structure of the title salt [systematic name: 3-(10,11-dihydro-5H- dibenzo[a,d][7]annulen-5-yl-idene)-N,N-dimethyl-propan-1-aminium 2,4,6-trinitro-phenolate] of a tricyclic anti-depressant, C20H24N +·C6H2N3O7 -, the dimethyl-amino-propyl subunit possesses a classical static conformational disorder. The central cyclo-hepta-diene ring adopts a bent conformation that is inter-mediate between boat and chair forms, leading to a butterfly shape for the hetero-tricyclic moiety. In a complementary fashion, donors from amitriptyline and acceptors from picrate form inter-molecular C - H⋯O hydrogen bonds and N - H⋯O salt bridges. These hydrogen bonds cluster amitriptyline and picrate ions into a closed R 4 4(36) hetero-tetra-mer, whereas inter-molecular C - H⋯π inter-actions between amitriptyline ions cluster them into homo-dimers. Significant π-π stacking inter-actions are also observed between aromatic rings of amitriptyline and picrate, and these, combined with the C - H⋯π inter-actions, associate mol-ecules into linear arrays along the [1 1] direction. © International Union of Crystallography 2007.
Persistent Identifierhttp://hdl.handle.net/10722/69937
ISSN
2014 Impact Factor: 0.326
2015 SCImago Journal Rankings: 0.240
ISI Accession Number ID
References

 

DC FieldValueLanguage
dc.contributor.authorBindya, Sen_HK
dc.contributor.authorWong, WTen_HK
dc.contributor.authorAshok, MAen_HK
dc.contributor.authorYathirajan, HSen_HK
dc.contributor.authorRathore, RSen_HK
dc.date.accessioned2010-09-06T06:18:12Z-
dc.date.available2010-09-06T06:18:12Z-
dc.date.issued2007en_HK
dc.identifier.citationActa Crystallographica Section C: Crystal Structure Communications, 2007, v. 63 n. 9, p. o546-o548en_HK
dc.identifier.issn0108-2701en_HK
dc.identifier.urihttp://hdl.handle.net/10722/69937-
dc.description.abstractIn the structure of the title salt [systematic name: 3-(10,11-dihydro-5H- dibenzo[a,d][7]annulen-5-yl-idene)-N,N-dimethyl-propan-1-aminium 2,4,6-trinitro-phenolate] of a tricyclic anti-depressant, C20H24N +·C6H2N3O7 -, the dimethyl-amino-propyl subunit possesses a classical static conformational disorder. The central cyclo-hepta-diene ring adopts a bent conformation that is inter-mediate between boat and chair forms, leading to a butterfly shape for the hetero-tricyclic moiety. In a complementary fashion, donors from amitriptyline and acceptors from picrate form inter-molecular C - H⋯O hydrogen bonds and N - H⋯O salt bridges. These hydrogen bonds cluster amitriptyline and picrate ions into a closed R 4 4(36) hetero-tetra-mer, whereas inter-molecular C - H⋯π inter-actions between amitriptyline ions cluster them into homo-dimers. Significant π-π stacking inter-actions are also observed between aromatic rings of amitriptyline and picrate, and these, combined with the C - H⋯π inter-actions, associate mol-ecules into linear arrays along the [1 1] direction. © International Union of Crystallography 2007.en_HK
dc.languageengen_HK
dc.publisherInternational Union of Crystallography. The Journal's web site is located at http://www.wiley.com/bw/editors.asp?ref=0108-2701&site=1en_HK
dc.relation.ispartofActa Crystallographica Section C: Crystal Structure Communicationsen_HK
dc.rightsCreative Commons: Attribution 3.0 Hong Kong License-
dc.subject.meshAmitriptyline - chemistry-
dc.subject.meshAntidepressive Agents, Tricyclic - chemistry-
dc.subject.meshCrystallography, X-Ray-
dc.subject.meshHydrogen Bonding-
dc.subject.meshPicrates - chemistry-
dc.titleAmitriptylinium picrate: Conformational disorderen_HK
dc.typeArticleen_HK
dc.identifier.openurlhttp://library.hku.hk:4550/resserv?sid=HKU:IR&issn=1936-0851&volume=63&spage=O546&epage=O548&date=2007&atitle=Amitriptylinium+Picrate:+Conformational+Disorder++en_HK
dc.identifier.emailWong, WT: wtwong@hku.hken_HK
dc.identifier.authorityWong, WT=rp00811en_HK
dc.description.naturepublished_or_final_version-
dc.identifier.doi10.1107/S0108270107037468en_HK
dc.identifier.pmid17762129-
dc.identifier.scopuseid_2-s2.0-34548321396en_HK
dc.identifier.hkuros142030en_HK
dc.relation.referenceshttp://www.scopus.com/mlt/select.url?eid=2-s2.0-34548321396&selection=ref&src=s&origin=recordpageen_HK
dc.identifier.volume63en_HK
dc.identifier.issue9en_HK
dc.identifier.spageo546en_HK
dc.identifier.epageo548en_HK
dc.identifier.isiWOS:000249151500031-
dc.publisher.placeUnited Statesen_HK
dc.identifier.scopusauthoridBindya, S=14521807500en_HK
dc.identifier.scopusauthoridWong, WT=7403973084en_HK
dc.identifier.scopusauthoridAshok, MA=15834001400en_HK
dc.identifier.scopusauthoridYathirajan, HS=7003282769en_HK
dc.identifier.scopusauthoridRathore, RS=8348224600en_HK
dc.identifier.citeulike1611795-

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