Crystal Structure of 1‐Phenyl‐3‐Methyl‐5‐Pyrazolone Perchlorate (ES‐1) | Zendy

ElShora A. I. | Zendy; Abdeen A. M. | Zendy; Gaballa G. A. | Zendy

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Crystal Structure of 1‐Phenyl‐3‐Methyl‐5‐Pyrazolone Perchlorate (ES‐1)

Author(s) -

ElShora A. I.,

Abdeen A. M.,

Gaballa G. A.

Publication year - 1993

Publication title -

crystal research and technology

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 0.377

H-Index - 64

eISSN - 1521-4079

pISSN - 0232-1300

DOI - 10.1002/crat.2170280611

Subject(s) - orthorhombic crystal system , crystal structure , crystallography , isotropy , anisotropy , fourier transform , crystal (programming language) , chemistry , mathematics , physics , materials science , mathematical analysis , optics , computer science , programming language

The crystal of ES‐1 belongs to the orthorhombic system, space group Pbca. Unit cell parameters were determined by least squares method and found to be: a = 16.256(8), b = 15.359(8), and c = 9.918(5) Å. The structure was solved by direct methods using the program SHELX86. The refinement was carried out using isotropic thermal parameters then followed by several cycles of anisotropic least squares to a final value of R 0 = 0.073 for 1226 observed reflections. The hydrogen atoms were located from a difference Fourier map. Torsion angles calculation showed that rings A and B are planar as expected. All the calculations were carried out on a PC‐Computer at physics department, Tanta University.

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