Crystal structure and Hirshfeld surface analysis of (E)-4-{[2,2-dichioro-1-(4-methoxyphenyl)ethen-yl]diazenyl}benzonitrile

被引：1
作者：
Akkurt, Mehmet [1 ]
Shikhaliyev, Namiq Q. [2 ]
Askerova, Ulviyya F. [2 ]
Mukhtarova, Sevinc H. [2 ]
Mammadova, Gunay Z. [2 ]
Toze, Flavien A. A. [3 ]
机构：
[1] Erciyes Univ, Fac Sci, Dept Phys, TR-38039 Kayseri, Turkey
[2] Baku State Univ, Organ Chem Dept, Z Xalilov Str 23, Baku 1148, Azerbaijan
[3] Univ Douala, Fac Sci, Dept Chem, POB 24157, Douala, Cameroon
来源：
ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS | 2019年 / 75卷
关键词：
crystal structure; 4-methoxyphenyl ring; benzonitrile; face-to-face pi-pi stacking interactions; Hirshfeld surface analysis; INTERMOLECULAR INTERACTIONS; QUANTITATIVE-ANALYSIS; CATALYTIC-ACTIVITY; HYDROGEN-BONDS; COMPLEXES; ARYLHYDRAZONES; HALOGEN; TETREL; CYANOSILYLATION; ALDEHYDES;
D O I：
10.1107/S2056989019009642
中图分类号：
O7 [晶体学];
学科分类号：
0702 ; 070205 ; 0703 ; 080501 ;
摘要：
In the title compound, C16H11Cl2N3O, the 4-methoxy-substituted benzene ring makes a dihedral angle of 41.86 (9)degrees with the benzene ring of the benzonitrile group. In the crystal, molecules are linked into layers parallel to (020) by C-H center dot center dot center dot O contacts and face-to-face pi-pi stacking interactions [centroid-centroid distances = 3.9116 (14) and 3.9118 (14) angstrom] between symmetry-related aromatic rings along the alpha-axis direction. A Hirshfeld surface analysis indicates that the most important contributions to the crystal packing are from Cl center dot center dot center dot H/H center dot center dot center dot Cl (22.8%), H center dot center dot center dot H (21.4%), N center dot center dot center dot H/H center dot center dot center dot N (16.1%), C center dot center dot center dot H/H center dot center dot center dot C (14.7%) and C center dot center dot center dot C (9.1%) interactions.
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页码：1190 / +
页数：10
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