A new potentially bidentate Schiff base ligand was synthesized from condensation reaction between ethylenediamine and 4-iodobenzaldehyde. The crystal structure of the compound was studied by single-crystal X-ray diffraction and it was shown that the compound was crystallized in monoclinic system with space group P21/n. In the crstal structure, the Schiff base molecule was located on special position with center of inversion in the middle of the C-C bond of the diamine segment. The intermolecular interaction energies of the interacting units were calculated by the theoretical calculations in the crystal structure. The theoretical calculations for interaction energies of the formed dimers from crystal structure were calculated by Gaussian program.
kia, R. and Mahmoudi, S. (2019). Crystal structure and intermolecular interaction energy calculation in N,N′-bis(4-iodobenzylidene)-ethane-1,2-diamine. Applied Chemistry Today, 14(52), 27-34. doi: 10.22075/chem.2019.16412.1553
MLA
kia, R. , and Mahmoudi, S. . "Crystal structure and intermolecular interaction energy calculation in N,N′-bis(4-iodobenzylidene)-ethane-1,2-diamine", Applied Chemistry Today, 14, 52, 2019, 27-34. doi: 10.22075/chem.2019.16412.1553
HARVARD
kia, R., Mahmoudi, S. (2019). 'Crystal structure and intermolecular interaction energy calculation in N,N′-bis(4-iodobenzylidene)-ethane-1,2-diamine', Applied Chemistry Today, 14(52), pp. 27-34. doi: 10.22075/chem.2019.16412.1553
CHICAGO
R. kia and S. Mahmoudi, "Crystal structure and intermolecular interaction energy calculation in N,N′-bis(4-iodobenzylidene)-ethane-1,2-diamine," Applied Chemistry Today, 14 52 (2019): 27-34, doi: 10.22075/chem.2019.16412.1553
VANCOUVER
kia, R., Mahmoudi, S. Crystal structure and intermolecular interaction energy calculation in N,N′-bis(4-iodobenzylidene)-ethane-1,2-diamine. Applied Chemistry Today, 2019; 14(52): 27-34. doi: 10.22075/chem.2019.16412.1553
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