Correlation between Structure and Crystallization of Porphyrins and Derivatives
P.V. Tsalu, B.M. Nsimba, D.T. Mwanangombo, D.D. Tshilanda, P.T. Mpiana, Z.G. Yav
Corresponding Author : P.V. Tsalu,
Department of Chemistry, Faculty of Science, University of Kinshasa. Box 190, Kinshasa, D.R. Congo.
Email ID : firstname.lastname@example.org
Received : 2015-11-12 Accepted : 2015-12-19 Published : 2015-12-19
Abstract : In this study we have analysed some parameters that may affect crystal quality and lead to an optimal crystallization of porphyrins and derivatives structures. We used experimental data from Cambridge Structural Database (CSD), which we correlated geometric and chemical parameters of crystals molecular structures to the refinement parameter (R) assessed during the crystallographic three dimensional (3D) structures resolution by single crystal X-ray diffraction. Based on 3D visualization of a relatively large sample of structures, the obtained results indicate that porphyrins that gave good crystals are those structures are strongly deformed as an occurrence of the meso carbons substitution or of the metal atom insertion in the central cavity bound to four nitrogen atoms of the nucleus. The unit cells of such crystals do not have voids or in the cases of having voids, need to be packed by solvents molecules used during crystallization process. Out of the usually studied parameters in order to understand the easiest ability of crystallizing of biological molecules, the parameters like geometric and chemical structures of porphyrins, solvents, and derivates may be take into account in order to predict the expect quality of crystals and the reliability of the method that we have to choice for their easiest crystallization.
Keywords : Porphyrins and derivates, Crystalâ€™s structure, Crystallization, Refinement factor,
Citation : P.V. Tsalu et al.. (2015) Correlation between Structure and Crystallization of Porphyrins and Derivatives. j. of Physical and Chemical Sciences.V3I4. DOI : 10.5281/zenodo.1000233
Copyright : © 2015 P.V. Tsalu. This is an open-access article distributed under the terms of the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original author and source are credited.
Volume / Issue
ScienceQ Publishing GroupDownload Article