Crystal and Molecular Structure Analysis in Knoevenagel Condensation Product of Substituted Napthofuran-2-Carbaldehydes

• 作者: Avantika Hasija Deepak Chopra G. Krishnasamy M. Shet Prakash V. Prakash Vasu
• 来源期刊: 晶体结构理论与应用(英文)
• 学科: 化学
• 关键词: Napthofuran-2-Carbaldehyde 8-Nitro Napthafura-2-Carbaldehyde Knoevenagel Condensation Single Crystal and Hirshfeld Surface Analysis
• 年，卷（期）: 2020,（3）
• 页码范围: 49-62
• 页数: 14页
• 分类号: O62

摘要

In the current study, two novel Knoevenagel condensation products of substituted napthofuran-2-carbaldehydes were designed, synthesized and characterized. In order to study the intermolecular interactions of title compounds, single crystals were grown by slow evaporation solution growth technique at </span><span style="font-family:Verdana;">r</span><span style="font-family:Verdana;">oom temperature and crystal structure has been determined by single crystal X-ray diffraction technique. Both the molecule</span><span style="font-family:Verdana;">s</span><span style="font-family:""><span style="font-family:Verdana;"> crystallize in the monoclinic centrosymmetric space group </span><i><span style="font-family:Verdana;">P</span></i><span style="font-family:Verdana;">2</span>_{<span style="font-size:12px;font-family:Verdana;">1</span>}<span style="font-family:Verdana;">/</span><i><span style="font-family:Verdana;">c</span></i><span style="font-family:Verdana;"> with one molecule in the asymmetric unit. In compound </span><b><span style="font-family:Verdana;">[4] </span></b><span style="font-family:Verdana;">the molecules are connected via bifurcated C-H···O=C and C-H···N=C</span></span><span style="font-family:Verdana;"> </span><span style="font-family:""><span style="font-family:Verdana;">H-bonds and van der Waals interactions forming a layered structure, whereas in compound </span><b><span style="font-family:Verdana;">[5a</span></b></span><span style="font-family:Verdana;"><b>]</b></span><span style="font-family:""><span style="font-family:Verdana;"> the molecular conformation is stabilized via intramolecular C-H···O H-bond and molecule interacts with other molecule generated via 2</span>_{<span style="font-size:12px;font-family:Verdana;">1</span>}<span style="font-family:Verdana;">-screw </span><i><span style="font-family:Verdana;">via</span></i><span style="font-family:Verdana;"> bifurcated C-H···O=</span></span><span style="font-family:Verdana;">C along with C-H···N=C H