Synthesis, crystal structure and computational studies of a new Schiff base compound: (E)-4-bromo-2-ethoxy-6-{[(2-methoxyphenyl)-imino]methyl}phenol
Yazarlar (3)
Prof. Dr. Arzu Özek Yıldırım Giresun Üniversitesi, Türkiye
Murat Gülsu
Giresun Üniversitesi, Türkiye
Giresun Üniversitesi, Türkiye
Prof. Dr. Çiğdem ALBAYRAK KAŞTAŞ Sinop Üniversitesi, Türkiye
| Makale Türü |
Özgün Makale
(SCOPUS dergilerinde yayınlanan tam makale)
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| Dergi Adı | Acta Crystallographica Section E Crystallographic Communications | ||
| Dergi ISSN | 2056-9890 Dergi Bilgileri (2018) | ||
| Dergi Tarandığı Indeksler | Chemical Abstracts, Scopus, Cambridge Structural Database, Inorganic Crystal Structure Database | ||
| Makale Dili | İngilizce | Basım Tarihi | 03-2018 |
| Kabul Tarihi | 03-02-2018 | Yayınlanma Tarihi | 07-02-2018 |
| Cilt / Sayı / Sayfa | 74 / 1 / 319–322 | DOI | 10.1107/S2056989018002062 |
| Makale Linki | https://journals.iucr.org/e/issues/2018/03/00/xu5918/xu5918.pdf | ||
| UAK Araştırma Alanları |
Organik Kimya
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| Özet |
| The title compound, C16H16BrNO3, which shows enol–imine tautomerism, crystallizes in the monoclinic P21/c space group. All non-H atoms of the molecule are nearly coplanar, with a maximum deviation of 0.274 (3) Å. In the crystal, molecules are held together by weak C—H⋯O, π–π and C—H⋯π interactions. The E/Z isomerism and enol/keto tautomerism energy barriers of the compound have been calculated by relaxed potential energy surface scan calculations with DFT methods. To observe the changes in the aromatic ring, HOMA aromaticity indexes were calculated during the scan process. Total energy and HOMA change curves were obtained to visualize results of the scan calculations. |
| Anahtar Kelimeler |
| 2-methoxyaniline | 5-bromo-3-ethoxy-2-hydroxybenzaldehyde | crystal structure | DFT | Schiff bas |
Science Direct
Synthesis, crystal structure and computational studies of a new Schiff base compound: (E)-4-bromo-2-ethoxy-6-{[(2-methoxyphenyl)-imino]methyl}phenol
BM Sürdürülebilir Kalkınma Amaçları
| Atıf Sayıları | |
| Web of Science | 7 |
| Scopus | 6 |
| Google Scholar | 9 |