Crystal Structure, DFT Calculation, and Hirshfeld Surface Analysis of the 1-(Cyclohex-1-en-1-yl)-3-(prop-2-yn-1-yl)-1,3-dihydro-2<i>H</i>-benzimidazol-2-one
Mohamed Adardour,
Marouane Ait Lahcen,
Ismail Hdoufane,
Mohammed M. Alanazi,
Mohamed Loughzail,
Hénia Mousser,
Solenne Fleutot,
Michel François,
Driss Cherqaoui,
Abdesselam Baouid
Affiliations
Mohamed Adardour
Laboratory of Molecular Chemistry, Faculty of Sciences Semlalia, BP 2390, Cadi Ayyad University, Marrakech 40000, Morocco
Marouane Ait Lahcen
Laboratory of Molecular Chemistry, Faculty of Sciences Semlalia, BP 2390, Cadi Ayyad University, Marrakech 40000, Morocco
Ismail Hdoufane
Laboratory of Molecular Chemistry, Faculty of Sciences Semlalia, BP 2390, Cadi Ayyad University, Marrakech 40000, Morocco
Mohammed M. Alanazi
Department of Pharmaceutical Chemistry, College of Pharmacy, King Saud University, P.O. Box 2457, Riyadh 11451, Saudi Arabia
Mohamed Loughzail
Laboratory of Molecular Chemistry, Faculty of Sciences Semlalia, BP 2390, Cadi Ayyad University, Marrakech 40000, Morocco
Hénia Mousser
Laboratoire de Physicochimie Analytique et Cristallochimie de Matériaux, Organométalliques et Biomoléculaires, Université des Frères Mentouri, Constantine 1, Constantine 25000, Algeria
Solenne Fleutot
Institut Jean Lamour, Université de Lorraine, CNRS, IJL, F-54000 Nancy, France
Michel François
Institut Jean Lamour, Université de Lorraine, CNRS, IJL, F-54000 Nancy, France
Driss Cherqaoui
Laboratory of Molecular Chemistry, Faculty of Sciences Semlalia, BP 2390, Cadi Ayyad University, Marrakech 40000, Morocco
Abdesselam Baouid
Laboratory of Molecular Chemistry, Faculty of Sciences Semlalia, BP 2390, Cadi Ayyad University, Marrakech 40000, Morocco
In this paper, we describe the synthesis and structural characterization of the 1-(cyclohex-1-en-1-yl)-3-(prop-2-yn-1-yl)-1,3-dihydro-2H-benzimidazol-2-one (2) via IR, NMR (1H and 13C), and HRMS. The crystal structure of the isolated organic compound 2 was confirmed through single-crystal X-ray diffraction analysis. The experimental results regarding the molecular geometry and intermolecular interactions within the crystal are in accordance with the DFT calculations and Hirshfeld surface analysis.
