Chin. Phys. B ›› 2014, Vol. 23 ›› Issue (1): 16103-016103.doi: 10.1088/1674-1056/23/1/016103
• CONDENSED MATTER: STRUCTURAL, MECHANICAL, AND THERMAL PROPERTIES • 上一篇 下一篇
Naima Boubegra, Abdelkader Chouaih, Mokhtaria Drissi, Fodil Hamzaoui
Naima Boubegra, Abdelkader Chouaih, Mokhtaria Drissi, Fodil Hamzaoui
摘要: The 4,4 dimethyl amino cyano biphenyl crystal (DMACB) is characterized by its nonlinear activity. The intra molecular charge transfer of this molecule results mainly from the electronic transmission of the electro-acceptor (cyano) and electro-donor (di-methyl-amino) groups. An accurate electron density distribution around the molecule has been calculated based on a high-resolution X-ray diffraction study. The data were collected at 123 K using graphite-monochromated Mo Kα radiation to sin(θ)/λ=1.24 Å-1. The integrated intensities of 13796 reflections were measured and reduced to 6501 independent reflections with I≥3σ(I). The crystal structure was refined using the experimental model of Hansen and Coppens (1978). The crystal structure has been validated and deposited at the Cambridge Crystallographic Data Centre with the deposition number CCDC 876507. In this article, we present the thermal motion and the structural analysis obtained from the least-square refinement based on F2 and the electron density distribution obtained from the multipolar model.
中图分类号: (Organic compounds)