1-[2-(2,4-DichloroBenzYloxy)-2-(Furan-2-Yl)EthYl]-1H-Benzotriazole
| Autor: | Özden Özel Güven, Meral Bayraktar, Simon J. Coles, Tuncer Hökelek |
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| Přispěvatelé: | Fizik Mühendisliği, Zonguldak Bülent Ecevit Üniversitesi |
| Rok vydání: | 2011 |
| Předmět: |
Crystallography
Benzotriazole Mean ?(C-C) = 0.002 Å Hydrogen bond Stacking General Chemistry Dihedral angle Condensed Matter::Mesoscopic Systems and Quantum Hall Effect Condensed Matter Physics Ring (chemistry) Bioinformatics T = 120 K Organic Papers R factor = 0.040 Crystal chemistry.chemical_compound chemistry QD901-999 Furan wR factor = 0.103 General Materials Science Benzene Single-crystal X-ray study Data-to-parameter ratio = 18.1 |
| Zdroj: | Acta Crystallographica Section E: Structure Reports Acta Crystallographica Section E, Vol 68, Iss 1, Pp o139-o140 (2012) |
| Popis: | In the title compound, C19H15Cl2N3O2, the benzotriazole ring system is approximately planar [maximum deviation = 0.018 (2) Å] and its mean plane is oriented at dihedral angles of 30.70 (5) and 87.38 (4)°, respectively, to the furan and benzene rings while the dihedral angle between furan and benzene rings is 74.46 (6)°. In the crystal, weak C—H...N hydrogen bonds link the molecules into chains along the b axis. π–π stacking interactions between the parallel dichlorobenzene rings of adjacent molecules [centroid–centroid distance = 3.6847 (9) Å] and weak C—H...π interactions are also observed. |
| Databáze: | OpenAIRE |
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