Crystal structure of 3 4a 7 7 10a pentamethyl 3 vinyldodecahydro 1 benzo chromen 9 ol isolated from Sideritis perfoliata
Yazarlar (7)
İsmail Çelik Cumhuriyet Üniversitesi, Türkiye
Cem Cüneyt Ersanlı Sinop Üniversitesi, Türkiye
Rahmi Köseoğlu Erciyes Üniversitesi, Türkiye
Doç. Dr. Hüseyin Akşit Gaziosmanpaşa Üniversitesi, Türkiye
Prof. Dr. Ramazan ERENLER Tokat Gaziosmanpaşa Üniversitesi, Türkiye
Prof. Dr. İbrahim Demirtaş Çankırı Karatekin Üniversitesi, Türkiye
Mehmet Akkurt Erciyes 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 (2016) | ||
| Dergi Tarandığı Indeksler | ESCI | ||
| Makale Dili | İngilizce | Basım Tarihi | 10-2016 |
| Kabul Tarihi | 29-08-2016 | Yayınlanma Tarihi | 05-09-2016 |
| Cilt / Sayı / Sayfa | 72 / 1 / 1380–1382 | DOI | 10.1107/S2056989016013864 |
| Makale Linki | http://scripts.iucr.org/cgi-bin/paper?S2056989016013864 | ||
| UAK Araştırma Alanları |
Organik Kimya
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| Özet |
| The asymmetric unit of the title compound, C20H34O2, contains two crystallographically independent molecules (1 and 2) with similar conformations. In both molecules, the cyclohexane rings adopt a chair conformation, while the oxane rings are also puckered. In the crystal, O—H⋯O hydrogen bonds connect adjacent molecules, forming C(6) helical chains located around a 21 screw axis and running along the crystallographic a axis. The packing of these chains is governed only by van der Waals interactions. Semi-empirical PM3 quantum chemical calculations are in a satisfactory agreement with the structural results of the X-ray structure analysis. The absolute structure was indeterminate in the present experiment. |
| Anahtar Kelimeler |
| crystal structure | cyclohexane ring | HOMO | LUMO | semi-empirical PM3 method |
Science Direct
Crystal structure of 3 4a 7 7 10a pentamethyl 3 vinyldodecahydro 1 benzo chromen 9 ol isolated from Sideritis perfoliata
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| Yöksis | 1 |
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| Google Scholar | 4 |