| Autor: |
N. R. Sreenath, A. S. Harisha, D. P. Ganesha, T. N. Mahadeva Prasad, G. B. Thippeswamy, B. N. Lakshminarayanna |
| Rok vydání: |
2022 |
| Zdroj: |
European Journal of Applied Physics. 4:12-23 |
| ISSN: |
2684-4451 |
| DOI: |
10.24018/ejphysics.2022.4.4.189 |
| Popis: |
The single-crystal XRD investigation shows that, an entitled compound is crystallized in a triclinic lattice of P1 space group. Inthe crystal, the molecular units are organized by a weak intermolecular C-H. . . O and C-H. . . N interactions. The interactions wereexplored by a three dimensional Hirshfeld surfaces mapped on different properties. The associative two-dimensional fingerprintgraphs are generated to indicate the major driving force of crystal packing. The three dimensional interaction energies are calculatedfor the intermolecular interactions using the energy density wave function of B3LYP/6-31G(d,p) and reported herein. |
| Databáze: |
OpenAIRE |
| Externí odkaz: |
|
