Crystal structure and intermolecular interaction energy calculation in N, N′-bis(4-iodobenzylidene)-ethane-1, 2-diamine

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KIA REZA; Mahmoudi Soheil

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Journal: Applied Chemistry Today Year:2019 | Volume:14 | Issue:52 Page(s): 0-0

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Title

Crystal structure and intermolecular interaction energy calculation in N, N′-bis(4-iodobenzylidene)-ethane-1, 2-diamine

Author(s)

KIA REZA | Mahmoudi Soheil | Issue Writer Certificate

Keywords

Crystal structureQ2

Schiff baseQ1

Theoretical calculationsQ1

Abstract

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.

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APA: Copy

KIA, REZA, & Mahmoudi, Soheil. (2019). Crystal structure and intermolecular interaction energy calculation in N, N′-bis(4-iodobenzylidene)-ethane-1, 2-diamine. JOURNAL OF APPLIED CHEMISTRY, 14(52 ), 0-0. SID. https://sid.ir/paper/380423/en

Vancouver: Copy

KIA REZA, Mahmoudi Soheil. Crystal structure and intermolecular interaction energy calculation in N, N′-bis(4-iodobenzylidene)-ethane-1, 2-diamine. JOURNAL OF APPLIED CHEMISTRY[Internet]. 2019;14(52 ):0-0. Available from: https://sid.ir/paper/380423/en

IEEE: Copy

REZA KIA, and Soheil Mahmoudi, “Crystal structure and intermolecular interaction energy calculation in N, N′-bis(4-iodobenzylidene)-ethane-1, 2-diamine,” JOURNAL OF APPLIED CHEMISTRY, vol. 14, no. 52 , pp. 0–0, 2019, [Online]. Available: https://sid.ir/paper/380423/en

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