4 Amino 3 p chlorophenyl 5 p methoxybenzyl 4H 1 2 4 triazole X ray and DFT calculated Structures
Yazarlar (5)
Prof. Dr. Onur ŞAHİN Ondokuz Mayis University Faculty of Science And Arts, Türkiye
Prof. Dr. Cihan Kantar Recep Tayyip Erdogan University, Türkiye
Prof. Dr. Olcay Bekircan Karadeniz Technical University, Türkiye
Prof. Dr. Selami Şaşmaz Ondokuz Mayis University Faculty of Science And Arts, Türkiye
Orhana Büyükgüngör
Ondokuz Mayis University Faculty of Science And Arts, Türkiye
Ondokuz Mayis University Faculty of Science And Arts, Türkiye
| Makale Türü | Özgün Makale (SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale) | ||
| Dergi Adı | Jiegou Huaxue (Q4) | ||
| Dergi ISSN | 0254-5861 Dergi Bilgileri (2011) | ||
| Dergi Tarandığı Indeksler | SCI-Expanded | ||
| Makale Dili | İngilizce | Basım Tarihi | 01-2011 |
| Cilt / Sayı / Sayfa | 30 / 5 / 731–737 | DOI | – |
| UAK Araştırma Alanları |
Yoğun Madde Fiziği
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| Özet |
| The title compound, 4-amino-3-(p-chlorophenyl)-5-(p-methoxybenzyl)-4H-1,2,4-triazole I, C16H15ClN4O), has been determined using X-ray diffraction techniques and the molecular structure has also been optimized at the B3LYP/6-31 G(d, p) level using density functional theory (DFT). The triazole ring exhibits dihedral angles of 41.61(15)degrees and 80.73(11)degrees with the phenyl rings. The molecules are linked principally by N-H center dot center dot center dot N hydrogen bonds involving the amino NH2 group and a triazole N atom, forming C(5) chains which are further linked to give a two-dimensional network of molecules. The N-H center dot center dot center dot N hydrogen bonding is supported by C-H center dot center dot center dot N hydrogen bond and C-H center dot center dot center dot pi interaction. Intermolecular N-H center dot center dot center dot N and C-H center dot center dot center dot N … |
| Anahtar Kelimeler |
| Chlorophenyl | Crystal structure | Hydrogen bonds | Triazole |
