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Synthesis, crystal structure and Hirshfeld surface analysis of 2,2-dichloro-3,3-diethoxy-1-(4-fluorophenyl)propan-1-ol Научная публикация

Журнал Acta Crystallographica Section E: Crystallographic Communications
ISSN: 2056-9890
Вых. Данные Год: 2025, Том: 81, Номер: 5, Страницы: 444-447 Страниц : 4 DOI: 10.1107/s2056989025002154
Авторы Guseynova Saadet N 1 , Samigullina Aida I 2 , Demir Cemile Baydere 3 , Dege Necmi 4 , Sepay Nayim 5 , Zangrando Ennio 6 , Hasanov Khudayar I 7 , Belay Alebel N 8
Организации
1 Kosygin State University of Russia, 117997 Moscow, Russian Federation.
2 N. D. Zelinsky Institute of Organic Chemistry, Russian Academy of Sciences, 119991 Moscow, Russian Federation.
3 Physiotherapy Program, Vocational School of Health Services, Demiroglu Bilim University, 34570-Istanbul, Türkiye.
4 Department of Physics, Faculty of Sciences, Ondokuz Mayıs University, Samsun 55200, Türkiye.
5 Department of Chemistry, Lady Brabourne College, Kolkata 700017, India.
6 Department of Chemical and Pharmaceutical Sciences, University of Trieste, 34127 Trieste, Italy.
7 Azerbaijan Medical University, Scientific Research Centre (SRC), A. Kasumzade St. 14, AZ 1022, Baku, Azerbaijan.
8 Department of Chemistry, Bahir Dar University, PO Box 79, Bahir Dar, Ethiopia.

Реферат: The title mol­ecule, C13H17Cl2FO3, crystallizes in the ortho­rhom­bic space group P212121 with one mol­ecule in the asymmetric unit. The skeleton of the mol­ecule exhibits an anti conformation with a C—C—C—C(Ph) torsion angle of −174.97 (18)°. The species are weakly hy­dro­gen bonded to form a polymeric chain elongated in the direction of the b axis. This inter­action is realised by the hydroxyl group with an ether O atom of a symmetry-related species [O—H⋯O hy­dro­gen-bond distance of 2.975 (2) Å]. No π-stacking inter­action involving the fluoro­benzyl moiety is detected in the crystal structure. Hirshfeld surface analysis, confirming the O—H⋯O donor–acceptor inter­actions, indicates that the most important contributions to the surface contacts are H⋯H (47.0%), Cl⋯H (19.5%), C⋯H (12.1%) and F⋯H (10.7%).
Библиографическая ссылка: Guseynova S.N. , Samigullina A.I. , Demir C.B. , Dege N. , Sepay N. , Zangrando E. , Hasanov K.I. , Belay A.N.
Synthesis, crystal structure and Hirshfeld surface analysis of 2,2-dichloro-3,3-diethoxy-1-(4-fluorophenyl)propan-1-ol
Acta Crystallographica Section E: Crystallographic Communications. 2025. V.81. N5. P.444-447. DOI: 10.1107/s2056989025002154 WOS Scopus OpenAlex
Идентификаторы БД:
Web of science: WOS:001482938400018
Scopus: 2-s2.0-105004665125
OpenAlex: W4409954979
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