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- Publisher Website: 10.1107/S1600536811045442
- Scopus: eid_2-s2.0-83155163869
- PMID: 22199691
- WOS: WOS:000298795500145
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Article: 1-[2-(1H-Benzimidazol-2-yl)ethyl]-1H-1,2,3-benzotriazole
Title | 1-[2-(1H-Benzimidazol-2-yl)ethyl]-1H-1,2,3-benzotriazole |
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Authors | |
Keywords | Data-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 Date | 2011 |
Publisher | International 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? |
Abstract | In 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 Identifier | http://hdl.handle.net/10722/168595 |
ISSN | 2011 Impact Factor: 0.347 |
ISI Accession Number ID | |
References |
DC Field | Value | Language |
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dc.contributor.author | Zhang, Z | en_US |
dc.contributor.author | Lu, W | en_US |
dc.contributor.author | Wu, D | en_US |
dc.date.accessioned | 2012-10-08T03:21:18Z | - |
dc.date.available | 2012-10-08T03:21:18Z | - |
dc.date.issued | 2011 | en_US |
dc.identifier.citation | Acta Crystallographica Section E: Structure Reports Online, 2011, v. 67 n. 12, p. o3167 | en_US |
dc.identifier.issn | 1600-5368 | en_US |
dc.identifier.uri | http://hdl.handle.net/10722/168595 | - |
dc.description.abstract | In 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.language | eng | en_US |
dc.publisher | International Union of Crystallography. The Journal's web site is located at http://journals.iucr.org/e/journalhomepage.html | en_US |
dc.relation.ispartof | Acta Crystallographica Section E: Structure Reports Online | en_US |
dc.subject | Data-To-Parameter Ratio = 12.7 | en_US |
dc.subject | Mean Σ(C-C) = 0.004 Å | en_US |
dc.subject | R Factor = 0.063 | en_US |
dc.subject | Single-Crystal X-Ray Study | en_US |
dc.subject | T = 294 K | en_US |
dc.subject | Wr Factor = 0.125 | en_US |
dc.title | 1-[2-(1H-Benzimidazol-2-yl)ethyl]-1H-1,2,3-benzotriazole | en_US |
dc.type | Article | en_US |
dc.identifier.email | Lu, W:luwei@hku.hk | en_US |
dc.identifier.authority | Lu, W=rp00754 | en_US |
dc.description.nature | link_to_subscribed_fulltext | en_US |
dc.identifier.doi | 10.1107/S1600536811045442 | en_US |
dc.identifier.pmid | 22199691 | - |
dc.identifier.scopus | eid_2-s2.0-83155163869 | en_US |
dc.relation.references | http://www.scopus.com/mlt/select.url?eid=2-s2.0-83155163869&selection=ref&src=s&origin=recordpage | en_US |
dc.identifier.volume | 67 | en_US |
dc.identifier.issue | 12 | en_US |
dc.identifier.spage | o3167 | en_US |
dc.identifier.isi | WOS:000298795500145 | - |
dc.publisher.place | United States | en_US |
dc.identifier.scopusauthorid | Zhang, Z=14053146100 | en_US |
dc.identifier.scopusauthorid | Lu, W=27868087600 | en_US |
dc.identifier.scopusauthorid | Wu, D=35847993200 | en_US |
dc.identifier.citeulike | 10017187 | - |
dc.identifier.issnl | 1600-5368 | - |