Molecular structure investigation, Hirshfeld surface analysis and DNA interaction of a cadmium complex of 4-amino-N-(1,3-thiazol-2-yl)benzenesulfonamide monohydrate in the presence of the secondary ligand β-picoline

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Author(s):  
Mohammed Dawood Alalawy ◽  
Urmila H. Patel ◽  
Taruna J. Padariya ◽  
Kaushik P. Chaudhary ◽  
Bhavesh N. Socha ◽  
...  
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Mohammed Dawood Alalawy ◽  
Bhavesh N. Socha ◽  
Bhavin R. Chavda ◽  
Taruna J. Padariya ◽  
Bharatkumar D. Patel ◽  
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Vol 122 ◽  
pp. 108318
Author(s):  
Kaushik P. Chaudhary ◽  
Bhavesh N. Socha ◽  
Sachin B. Pandya ◽  
Rahul P. Dubey ◽  
Bhavin R. Chavda ◽  
...  

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Zeliha Atioğlu ◽  
S. Bindya ◽  
Mehmet Akkurt ◽  
C. S. Chidan Kumar

In the title compound, C15H10BrFO, the molecular structure consists of a 3-bromophenyl ring and a 4-fluorophenyl ring linked via a prop-2-en-1-one spacer. The 3-bromophenyl and 4-fluorophenyl rings make a dihedral angle of 48.90 (15)°. The molecule has an E configuration about the C=C bond and the carbonyl group is syn with respect to the C=C bond. In the crystal, molecules are linked by C—H...π interactions between the bromophenyl and fluorophenyl rings of molecules, resulting in a two-dimensional layered structure parallel to the ab plane. The molecular packing is stabilized by weak Br...H and F...H contacts, one of which is on the one side of each layer, and the second is on the other. The intermolecular interactions in the crystal packing were further analysed using Hirshfeld surface analysis, which indicates that the most significant contacts are Cl...H/H...Cl (20.8%), followed by C...H/H...C (31.1%), H...H (21.7%), Br...H/H...Br (14.2%), F...H/H...F (9.8%), O...H/H...O (9.7%).


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