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
Erciyes Üniversitesi, Türkiye
Hüseyin Akşit Tokat Gaziosmanpaşa Üniversitesi, Türkiye
Prof. Dr. Ramazan ERENLER Tokat Gaziosmanpaşa Üniversitesi, Türkiye
İbrahim Demirtaş Çankırı Karatekin Üniversitesi, Türkiye
Mehmet Akkurt Erciyes Üniversitesi, Türkiye
| Makale Türü |
Özgün Makale
(ESCI dergilerinde yayınlanan tam makale)
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| Dergi Adı | ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS | ||
| Dergi ISSN | 2056-9890 Wos Dergi Scopus Dergi | ||
| Dergi Tarandığı Indeksler | ESCI | ||
| Makale Dili | İngilizce | Basım Tarihi | 10-2016 |
| Cilt / Sayı / Sayfa | 72 / 10 / 1380–0 | DOI | 10.1107/S2056989016013864 |
| Makale Linki | http://scripts.iucr.org/cgi-bin/paper?S2056989016013864 | ||
| Özet |
| The asymmetric unit of the title compound, CHO, contains two crystallographically independent mol-ecules (1 and 2) with similar conformations. In both mol-ecules, the cyclo-hexane rings adopt a chair conformation, while the oxane rings are also puckered. In the crystal, O-H⋯O hydrogen bonds connect adjacent mol-ecules, forming (6) helical chains located around a 2 screw axis and running along the crystallographic axis. The packing of these chains is governed only by van der Waals inter-actions. Semi-empirical 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 | semi-empirical PM3 method | HOMO | LUMO |
BM Sürdürülebilir Kalkınma Amaçları
| Atıf Sayıları | |
| Web of Science | 2 |