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

Saadet N Guseynova,

Aida I. Samigullina,

Cemile Baydere Demir

и другие.

Acta Crystallographica Section E Crystallographic Communications, Год журнала: 2025, Номер 81(5), С. 444 - 447

Опубликована: Апрель 29, 2025

The title molecule, C 13 H 17 Cl 2 FO 3 , crystallizes in the orthorhombic space group P 1 with one molecule asymmetric unit. skeleton of exhibits an anti conformation a C—C—C—C(Ph) torsion angle −174.97 (18)°. species are weakly hydrogen bonded to form polymeric chain elongated direction b axis. This interaction is realised by hydroxyl ether O atom symmetry-related [O—H...O hydrogen-bond distance 2.975 (2) Å]. No π-stacking involving fluorobenzyl moiety detected crystal structure. Hirshfeld surface analysis, confirming O—H...O donor–acceptor interactions, indicates that most important contributions contacts H...H (47.0%), Cl...H (19.5%), C...H (12.1%) and F...H (10.7%).

Язык: Английский

Identification of C-C σ-hole⸱⸱⸱π interactions in the designed organometallic chloro-pyrazole-Pd(II) complex DOI
Debajyoti Saha, Asit Kumar Das, Mohammad Raish

и другие.

Journal of Molecular Structure, Год журнала: 2025, Номер unknown, С. 141363 - 141363

Опубликована: Янв. 1, 2025

Язык: Английский

Процитировано

0
Synthesis, crystal structure and Hirshfeld surface analysis of 2,2-dichloro-3,3-diethoxy-1-(4-fluorophenyl)propan-1-ol DOI Creative Commons

Saadet N Guseynova,

Aida I. Samigullina,

Cemile Baydere Demir

и другие.

Acta Crystallographica Section E Crystallographic Communications, Год журнала: 2025, Номер 81(5), С. 444 - 447

Опубликована: Апрель 29, 2025

The title molecule, C 13 H 17 Cl 2 FO 3 , crystallizes in the orthorhombic space group P 1 with one molecule asymmetric unit. skeleton of exhibits an anti conformation a C—C—C—C(Ph) torsion angle −174.97 (18)°. species are weakly hydrogen bonded to form polymeric chain elongated direction b axis. This interaction is realised by hydroxyl ether O atom symmetry-related [O—H...O hydrogen-bond distance 2.975 (2) Å]. No π-stacking involving fluorobenzyl moiety detected crystal structure. Hirshfeld surface analysis, confirming O—H...O donor–acceptor interactions, indicates that most important contributions contacts H...H (47.0%), Cl...H (19.5%), C...H (12.1%) and F...H (10.7%).

Язык: Английский

Процитировано

0