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CRYSTAL STRUCTURE OF NORFLOXACINIUM AND 2,2′-BIPYRIDYL-1′-IUM 2-THIOBARBITURATES
Journal of Structural Chemistry ( IF 0.8 ) Pub Date : 2020-10-01 , DOI: 10.1134/s0022476620100170
N. N. Golovnev , M. S. Molokeev , I. V. Sterkhova , M. K. Lesnikov

Abstract Organic salts with the composition NfH 2 (Htba)·6H 2 O ( I ) and BipyH(Htba)·2H 2 O ( II ) (Н 2 tba is 2-thiobarbituric acid, NfH is norfloxacin and Bipy is 2,2′-dipyridyl) are prepared. Their structures are determined by XRD (CCDC cif-file No. 1967494-1967495). Crystals I are triclinic: a = 11.8821(4) Å, b = 11.9959(5) Å, c = 12.0038(4) Å, α = 119.835(1)°, β = 107.691(1)°, γ = 95.237(1)°, V = 1351.80(9) Å 3 , space group P -1, Z = 2. Crystals II are monoclinic: a = 7.9587(2) Å, b = 19.6272(4) Å, c = 10.1118(2) Å, β = 98.118(1)°, V = 1563.71(6) Å 3 , space group P 2 1 / n , Z = 4. The structures are stabilized by numerous hydrogen bonds and π–π interactions involving Нtba − , $$\text{NfH}_{2}^{+}$$ , and BipyH + ions. Thermal decomposition of these compounds in air includes dehydration and oxidative degradation stages.

中文翻译:

诺氟沙星和 2,2'-联吡啶-1'-IUM 2-硫代巴比妥酸盐的晶体结构

摘要 组成为 NfH 2 (Htba)·6H 2 O ( I ) 和 BipyH(Htba)·2H 2 O ( II ) 的有机盐(Н 2 tba 是 2-硫代巴比妥酸,NfH 是诺氟沙星,Bipy 是 2,2' -联吡啶)制备。它们的结构由 XRD(CCDC cif-file No. 1967494-1967495)确定。晶体 I 是三斜晶系:a = 11.8821(4) Å,b = 11.9959(5) Å,c = 12.0038(4) Å,α = 119.835(1)°,β = 107.691(1)°,γ = 915.22 )°, V = 1351.80(9) Å 3 , 空间群 P -1, Z = 2. 晶体 II 是单斜晶系:a = 7.9587(2) Å, b = 19.6272(4) Å, c = 10.1118(2) Å , β = 98.118(1)°, V = 1563.71(6) Å 3 , 空间群 P 2 1 / n , Z = 4. 结构通过大量氢键和涉及 Нtba − 的 π-π 相互作用稳定,$$\ text{NfH}_{2}^{+}$$ 和 BipyH + 离子。这些化合物在空气中的热分解包括脱水和氧化降解阶段。
更新日期:2020-10-01
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