Author/Authors :
Çelikesir, Sevim Türktekin Department of Physics - Faculty of Sciences - Erciyes University, Turkey , Akkurt, Mehmet Department of Physics - Faculty of Sciences - Erciyes University, Turkey , Shikhaliyev, Namiq Q. Organic Chemistry Department - Baku State University, Azerbaijan , Suleymanova, Gulnar T. Organic Chemistry Department - Baku State University, Azerbaijan , Babayeva, Gulnare V. Organic Chemistry Department - Baku State University, Azerbaijan , Gurbanova, Nurana V. Organic Chemistry Department - Baku State University, Azerbaijan , Mammadova, Gunay Z. Organic Chemistry Department - Baku State University, Azerbaijan , Bhattarai, Ajaya Department of Chemistry - M.M.A.M.C (Tribhuvan University), Biratnagar, Nepal
Abstract :
In the title compound, C13H9Cl2N3O2, the 2,6-dichlorophenyl ring and the nitrosubstituted benzene ring form a dihedral angle of 21.16 (14). In the crystal, face-to-face – stacking interactions occur along the a-axis direction between the centroids of the 2,6-dichlorophenyl ring and the nitro-substituted benzene
ring. Furthermore, these molecules show intramolecular N—HCl and C— HO contacts and are linked by intermolecular N—HO and C—HCl hydrogen bonds, forming pairs of hydrogen-bonded molecular layers parallel to (202). The Hirshfeld surface analysis of the crystal structure indicates that the most important contributions to the crystal packing are from HH (23.0%), OH/HO (20.1%), ClH/HCl (19.0%), CC 11.2%) and HC/
CH (8.0%) interactions.
Keywords :
crystal structure , Hirshfeld surface analysis , nitro-substituted benzene ring , 2,6-dichlorophenyl ring , face-to-face π–π stacking interactions
