Hamza Assila, Younes Zaoui, Camille Kalonji Mubengayi, Walid Guerrab, Abdulsalam Alsubari, Joel T Mague, Youssef Ramli, Mhammed Ansar
{"title":"Synthesis, crystal structure and Hirshfeld surface analysis of 2-{4-[(2-chloro-phen-yl)meth-yl]-3-methyl-6-oxopyridazin-1-yl}-<i>N</i>-phenyl-acetamide.","authors":"Hamza Assila, Younes Zaoui, Camille Kalonji Mubengayi, Walid Guerrab, Abdulsalam Alsubari, Joel T Mague, Youssef Ramli, Mhammed Ansar","doi":"10.1107/S2056989024010296","DOIUrl":null,"url":null,"abstract":"<p><p>In the title mol-ecule, C<sub>20</sub>H<sub>18</sub>ClN<sub>3</sub>O<sub>2</sub>, the 2-chloro-phenyl group is disordered to a small extent [occupancies 0.875 (2)/0.125 (2)]. The phenyl-acetamide moiety is nearly planar due to a weak, intra-molecular C-H⋯O hydrogen bond. In the crystal, N-H⋯O hydrogen bonds and π-stacking inter-actions between pyridazine and phenyl rings form helical chains of mol-ecules in the <i>b</i>-axis direction, which are linked by C-H⋯O hydrogen bonds and C-H⋯π(ring) inter-actions. A Hirshfeld surface analysis was performed, which showed that H⋯H, C⋯H/H⋯C and O⋯H/H⋯O inter-actions to dominate the inter-molecular contacts in the crystal.</p>","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"80 Pt 11","pages":"1221-1225"},"PeriodicalIF":0.5000,"publicationDate":"2024-10-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11660474/pdf/","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Acta Crystallographica Section E: Crystallographic Communications","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.1107/S2056989024010296","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"2024/10/1 0:00:00","PubModel":"eCollection","JCR":"Q4","JCRName":"CRYSTALLOGRAPHY","Score":null,"Total":0}
引用次数: 0
Abstract
In the title mol-ecule, C20H18ClN3O2, the 2-chloro-phenyl group is disordered to a small extent [occupancies 0.875 (2)/0.125 (2)]. The phenyl-acetamide moiety is nearly planar due to a weak, intra-molecular C-H⋯O hydrogen bond. In the crystal, N-H⋯O hydrogen bonds and π-stacking inter-actions between pyridazine and phenyl rings form helical chains of mol-ecules in the b-axis direction, which are linked by C-H⋯O hydrogen bonds and C-H⋯π(ring) inter-actions. A Hirshfeld surface analysis was performed, which showed that H⋯H, C⋯H/H⋯C and O⋯H/H⋯O inter-actions to dominate the inter-molecular contacts in the crystal.
期刊介绍:
Acta Crystallographica Section E: Crystallographic Communications is the IUCr''s open-access structural communications journal. It provides a fast, simple and easily accessible publication mechanism for crystal structure determinations of inorganic, metal-organic and organic compounds. The electronic submission, validation, refereeing and publication facilities of the journal ensure rapid and high-quality publication of fully validated structures. The primary article category is Research Communications; these are peer-reviewed articles describing one or more structure determinations with appropriate discussion of the science.