Synthesis and Crystal Structure Determination of [[4-(4-morpholinyl) Phenyl] Methylene] Propanedinitrile from X-ray Powder Diffraction Data
(2010). Synthesis and Crystal Structure Determination of [[4-(4-morpholinyl) Phenyl] Methylene] Propanedinitrile from X-ray Powder Diffraction Data. EKB Journal Management System, 33(1), 71-80. doi: 10.21608/ejs.2010.148683
. "Synthesis and Crystal Structure Determination of [[4-(4-morpholinyl) Phenyl] Methylene] Propanedinitrile from X-ray Powder Diffraction Data". EKB Journal Management System, 33, 1, 2010, 71-80. doi: 10.21608/ejs.2010.148683
(2010). 'Synthesis and Crystal Structure Determination of [[4-(4-morpholinyl) Phenyl] Methylene] Propanedinitrile from X-ray Powder Diffraction Data', EKB Journal Management System, 33(1), pp. 71-80. doi: 10.21608/ejs.2010.148683
Synthesis and Crystal Structure Determination of [[4-(4-morpholinyl) Phenyl] Methylene] Propanedinitrile from X-ray Powder Diffraction Data. EKB Journal Management System, 2010; 33(1): 71-80. doi: 10.21608/ejs.2010.148683

Synthesis and Crystal Structure Determination of [[4-(4-morpholinyl) Phenyl] Methylene] Propanedinitrile from X-ray Powder Diffraction Data

Egyptian Journal of Solids
Article 6, Volume 33, Issue 1, December 2010, Page 71-80  XML PDF (406.17 K)
Document Type: Original Article
DOI: 10.21608/ejs.2010.148683
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Abstract
The crystal structure of [[4-(4-Morpholinyl)phenyl] methylene] propanedinitrile has been determined at room temperature from X-ray powder diffraction data using the method of simulated annealing as implemented in both of DASH and TOPAS programs. Subsequent Rietveld refinements using the data collected to 1.5 Å resolution yielded R-Bragg values of 5.6 %. It was found that the compound crystallizes in the monoclinic space group P21/n, with lattice parameters a=9.6537(34) Å, b=19.1766(11) Å, c=7.3612(15) Å and β=109.218(3)°. The molecules are packed in parallel layers running perpendicular to the c-axis with the distance between layers=4.39 Å.
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