148683

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

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Last updated: 05 Jan 2025

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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.

DOI

10.21608/ejs.2010.148683

Volume

33

Article Issue

1

Related Issue

21854

Issue Date

2010-12-01

Receive Date

2009-08-15

Publish Date

2010-12-31

Page Start

71

Page End

80

Print ISSN

1012-5566

Online ISSN

2735-5640

Link

https://ejs.journals.ekb.eg/article_148683.html

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https://ejs.journals.ekb.eg/service?article_code=148683

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6

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Original Article

Type Code

1,717

Publication Type

Journal

Publication Title

Egyptian Journal of Solids

Publication Link

https://ejs.journals.ekb.eg/

MainTitle

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

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Article

Created At

23 Jan 2023