5,5-Dichloro-6-hydroxydihydropyrimidine-2,4(1H,3H)-dione: molecular and crystal structure, Hirshfeld surface analysis and the new route for synthesis with Mg(ReO4)2 as a new catalyst
2020 ◽
Vol 76
(10)
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pp. 1557-1561
Keyword(s):
The molecular and crystal structures of the title compound, C4H4Cl2N2O3, were investigated by single-crystal X-ray diffraction and a Hirshfeld surface analysis. The title compound was synthesized by a new type of reaction using Mg(ReO4)2 as a new catalyst and a possible mechanism for this reaction is proposed. The six-membered ring adopts a half-chair conformation. In the crystal, hydrogen bonds connect the molecules into double layers, which are connected to each other by halogen bonds. The Hirshfeld surface analysis revealed that the most important contributions for the crystal packing are from O...H/H...O (35.8%), Cl...Cl (19.6%), Cl...H/H...Cl (17.0%), H...H (8.3%), C...O/O...C (4.3%), Cl...O/O...Cl (4.2%) and O...O (4.1%) contacts.
2022 ◽
Vol 78
(1)
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2018 ◽
Vol 74
(7)
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pp. 931-934
2017 ◽
Vol 73
(4)
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pp. 524-527
2019 ◽
Vol 75
(2)
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pp. 237-241
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Keyword(s):
2021 ◽
Vol 77
(4)
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pp. 356-359
Keyword(s):
2020 ◽
Vol 76
(4)
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pp. 594-598
Keyword(s):
2020 ◽
Vol 76
(6)
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pp. 794-797
2018 ◽
Vol 74
(3)
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pp. 385-389
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2020 ◽
Vol 76
(6)
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pp. 811-815
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2018 ◽
Vol 74
(12)
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pp. 1746-1750
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