Desynchronization of Pedal Motion Crystallographic and Theoretical Study of E 4 4 ethylphenyl diazenyl 2 methylphenol
Yazarlar (4)
Nazan Ocak-Iskeleli
Ondokuz Mayis Üniversitesi, Türkiye
Ondokuz Mayis Üniversitesi, Türkiye
Prof. Dr. Hasan Karabiyik Dokuz Eylül Üniversitesi, Türkiye
Prof. Dr. Çiğdem ALBAYRAK KAŞTAŞ Ondokuz Mayis Üniversitesi, Türkiye
Erbil Aǧar
Ondokuz Mayis Üniversitesi, Türkiye
Ondokuz Mayis Üniversitesi, Türkiye
| Makale Türü |
Özgün Makale
(SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale)
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| Dergi Adı | Journal of Chemical Crystallography (Q4) | ||
| Dergi ISSN | 1074-1542 Dergi Bilgileri (2008) | ||
| Dergi Tarandığı Indeksler | SCI-Expanded | ||
| Makale Dili | İngilizce | Basım Tarihi | 09-2008 |
| Kabul Tarihi | – | Yayınlanma Tarihi | 09-04-2008 |
| Cilt / Sayı / Sayfa | 38 / 9 / 671–677 | DOI | 10.1007/s10870-008-9371-5 |
| Makale Linki | http://link.springer.com/10.1007/s10870-008-9371-5 | ||
| UAK Araştırma Alanları |
Organik Kimya
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| Özet |
| The single crystal X-ray diffraction analysis of the title compound, C15H16N2O, reveals that its molecules exhibit whole-molecule disorder at both crystal lattice sites due to pedal motion in solid state. The compound crystallizes in the monoclinic space group P 21/c with a = 20.5504(14) Å, b = 10.8887(5) Å, c = 12.0191(8) Å and β = 96.927(5)°. While major pedal conformers of the compound in solid state are stabilized by intermolecular O–H···N type hydrogen bonds leading to the formation of C(7) chains at Site 1 and C(8) chains at Site 2 along [0 1 0] axis, C–H···π type intermolecular interactions between major and minor conformers also serve to stabilize minor pedal conformers. An interesting feature about the crystal structure is that pedal conformers at Site 1 have two different occupancy factors arising from desynchronization of pedal motion along [2 1 0] direction in crystal phase. Quantum chemical calculations at … |
| Anahtar Kelimeler |
| Azobenzene | Crystal structure | DFT/B3LYP | Pedal motion | Whole-molecule disorder |
BM Sürdürülebilir Kalkınma Amaçları
| Atıf Sayıları | |
| Web of Science | 4 |
| Scopus | 4 |
| Google Scholar | 3 |