Abstract
The crystal structure of the title compound is determined by single crystal X-ray structure analysis. The compound C17H20N6O5, crystallizes in the monoclinic crystal system with space group P21/c having unit-cell parameters: a = 11.3123(8), b = 14.8291(10), c = 10.8777(8) Å, β = 102.943(7)°, and Z = 4. The crystal structure was solved by direct methods using single-crystal X-ray diffraction data collected at room temperature and refined by full-matrix least-squares procedures to a final R-value of 0.0496 for 2109 observed reflections. The molecules in the crystal are linked into infinite two-dimensional network by C−H⋅⋅⋅O, C−H⋅⋅⋅N, N−H⋅⋅⋅O, N−H⋅⋅⋅N, and C−H⋅⋅⋅π type of hydrogen bonds. Molecules are also reinforced by π⋅⋅⋅π interaction between ring B and ring C, respectively.
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25 February 2021
An Erratum to this paper has been published: https://doi.org/10.1134/S1063774521220016
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ACKNOWLEDGMENTS
The author acknowledges Prof. Rajnikant, Prof. Vivek K. Gupta, Post-Graduate Department of Physics, University of Jammu, Jammu Tawi-180 006, India, for the single-crystal X-ray diffractometer data and Prof. Goutam Brahmachari et al., Laboratory of Natural Products and Organic Synthesis, Department of Chemistry, Visva-Bharati University, Santiniketan, West Bengal, India for providing the crystal of the title compound.
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Naresh Sharma Crystal Structure of 5,5'-(Furan-2-ylmethylene)bis(6-amino-1,3-dimethylpyrimidine-2,4(1H,3H)-dione). Crystallogr. Rep. 65, 875–878 (2020). https://doi.org/10.1134/S106377452006022X
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DOI: https://doi.org/10.1134/S106377452006022X