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Article: 1-[2-(1H-Benzimidazol-2-yl)ethyl]-1H-1,2,3-benzotriazole

Title1-[2-(1H-Benzimidazol-2-yl)ethyl]-1H-1,2,3-benzotriazole
Authors
KeywordsData-To-Parameter Ratio = 12.7
Mean Σ(C-C) = 0.004 Å
R Factor = 0.063
Single-Crystal X-Ray Study
T = 294 K
Wr Factor = 0.125
Issue Date2011
PublisherInternational Union of Crystallography. The Journal's web site is located at http://journals.iucr.org/e/journalhomepage.html
Citation
Acta Crystallographica Section E: Structure Reports Online, 2011, v. 67 n. 12, p. o3167 How to Cite?
AbstractIn the title compound, C 15H 13N 5, the N-containing heterocycles are linked by an ethyl-ene spacer in a gauche conformation, the N - C - C - C torsion angle along the linker being 60.1 (3)°. The dihedral angle between the terminal benzotriazole and benzimidazole rings is 39.02 (6)°. In the crystal, adjacent molecules are connected by N-H⋯N hydrogen bonds, forming an infinite chain along the c axis. π-π stacking interactions [centroid-centroid distance = 3.8772 (7) Å] between the benzotriazole rings of neighbouring chains extend these chains into a supra-molecular sheet in the bc plane. Weak intermolecular C-H⋯N interactions further stabilize the crystal structure.
Persistent Identifierhttp://hdl.handle.net/10722/168595
ISSN
2011 Impact Factor: 0.347
2015 SCImago Journal Rankings: 0.179
ISI Accession Number ID
References

 

DC FieldValueLanguage
dc.contributor.authorZhang, Zen_US
dc.contributor.authorLu, Wen_US
dc.contributor.authorWu, Den_US
dc.date.accessioned2012-10-08T03:21:18Z-
dc.date.available2012-10-08T03:21:18Z-
dc.date.issued2011en_US
dc.identifier.citationActa Crystallographica Section E: Structure Reports Online, 2011, v. 67 n. 12, p. o3167en_US
dc.identifier.issn1600-5368en_US
dc.identifier.urihttp://hdl.handle.net/10722/168595-
dc.description.abstractIn the title compound, C 15H 13N 5, the N-containing heterocycles are linked by an ethyl-ene spacer in a gauche conformation, the N - C - C - C torsion angle along the linker being 60.1 (3)°. The dihedral angle between the terminal benzotriazole and benzimidazole rings is 39.02 (6)°. In the crystal, adjacent molecules are connected by N-H⋯N hydrogen bonds, forming an infinite chain along the c axis. π-π stacking interactions [centroid-centroid distance = 3.8772 (7) Å] between the benzotriazole rings of neighbouring chains extend these chains into a supra-molecular sheet in the bc plane. Weak intermolecular C-H⋯N interactions further stabilize the crystal structure.en_US
dc.languageengen_US
dc.publisherInternational Union of Crystallography. The Journal's web site is located at http://journals.iucr.org/e/journalhomepage.htmlen_US
dc.relation.ispartofActa Crystallographica Section E: Structure Reports Onlineen_US
dc.subjectData-To-Parameter Ratio = 12.7en_US
dc.subjectMean Σ(C-C) = 0.004 Åen_US
dc.subjectR Factor = 0.063en_US
dc.subjectSingle-Crystal X-Ray Studyen_US
dc.subjectT = 294 Ken_US
dc.subjectWr Factor = 0.125en_US
dc.title1-[2-(1H-Benzimidazol-2-yl)ethyl]-1H-1,2,3-benzotriazoleen_US
dc.typeArticleen_US
dc.identifier.emailLu, W:luwei@hku.hken_US
dc.identifier.authorityLu, W=rp00754en_US
dc.description.naturelink_to_subscribed_fulltexten_US
dc.identifier.doi10.1107/S1600536811045442en_US
dc.identifier.pmid22199691-
dc.identifier.scopuseid_2-s2.0-83155163869en_US
dc.relation.referenceshttp://www.scopus.com/mlt/select.url?eid=2-s2.0-83155163869&selection=ref&src=s&origin=recordpageen_US
dc.identifier.volume67en_US
dc.identifier.issue12en_US
dc.identifier.spageo3167en_US
dc.identifier.isiWOS:000298795500145-
dc.publisher.placeUnited Statesen_US
dc.identifier.scopusauthoridZhang, Z=14053146100en_US
dc.identifier.scopusauthoridLu, W=27868087600en_US
dc.identifier.scopusauthoridWu, D=35847993200en_US
dc.identifier.citeulike10017187-

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