Synthesis, crystal structure and Hirshfeld surface analysis of (E)-benzo[d][1,3]dioxole-5-carbaldehyde oxime

被引:0
作者
Radhakrishnan, Rengaraj [1 ]
Mustaphi, Nour El Hoda [2 ]
Sebbar, Nada Kheira [3 ]
Mague, Joel T. [4 ]
Thiruvalluvar, Aravazhi Amalan [5 ]
机构
[1] Bharathidasan Univ, Jamal Mohamed Coll Autonomous, PG & Res Dept Phys, Tiruchirappalli 620020, Tamilnadu, India
[2] Fac Sci, Lab Chim Organ Catalyse & Environm, Kenitra, Morocco
[3] Ibn Zohr Univ, Lab Chem & Environm, Appl Bioorgan Chem Team, Fac Sci, Agadir, Morocco
[4] Tulane Univ, Dept Chem, New Orleans, LA 70118 USA
[5] Kunthavai Naacchiyaar Govt Arts Coll Women Autono, Thanjavur 613007, Tamilnadu, India
关键词
synthesis; crystal structure; benzodioxolane; oxime; O-H center dot center dot center dot N; C-H center dot center dot center dot O; hydrogen bonds; pi-stacking; Hirshfeld surface analysis; INHIBITION;
D O I
10.1107/S2056989023004139
中图分类号
O7 [晶体学];
学科分类号
0702 ; 070205 ; 0703 ; 080501 ;
摘要
The asymmetric unit of the title molecule, C8H7NO3, consists of two molecules differing slightly in conformation and in their intermolecular interactions in the solid. The dihedral angle between the benzene and dioxolane rings is 0.20 (7)degrees in one molecule and 0.31 (7)degrees in the other. In the crystal, the two molecules are linked into dimers through pairwise O-H center dot center dot center dot N hydrogen bonds, with these units being formed into stacks by two different sets of aromatic pi-stacking interactions. The stacks are connected by C-H center dot center dot center dot O hydrogen bonds. A Hirshfeld surface analysis indicates that the most significant contacts in the crystal packing are H center dot center dot center dot O/O center dot center dot center dot H (36.7%), H center dot center dot center dot H (32.2%) and C center dot center dot center dot H/H center dot center dot center dot C (12.7%).
引用
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页码:545 / +
页数:9
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