N'-[(1E)-1-(2,4-二羟基苯基)-乙基]吡啶-4-碳肼的x射线晶体结构

Venkatesan Jayaprakash, A. Timiri, Viswanathan Vijayan, B. N. Sinha, V. Devadasan
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引用次数: 1

摘要

设计合成了2′,4′-二羟基苯乙酮异烟碱肼希夫碱基(INH-RA),作为登革病毒NS2B-NS3蛋白酶文库枚举的一部分。在甲醇的缓慢蒸发作用下,单元胞内形成了8个分子的单斜晶C2/c空间群(a=20.0165(3) Å, b=7.7594(10) Å, c=19.4809(3) Å, α=90°,β=111.368(1)°,γ=90°,Z=8)。利用SHELXS-97和SHELXL-2014分别对化合物的三维x射线晶体结构进行了测定和细化,最终r值为4.64%
本文章由计算机程序翻译,如有差异,请以英文原文为准。
X-ray crystal structure of N'-[(1E)-1-(2,4-dihydroxyphenyl)-ethylidene]pyridine-4-carbohydrazide
Schiff’s base of isonicotinyl hydrazide with 2’,4’-dihydroxy acetophenone (INH-RA) has been designed and synthesized as a part of library enumeration targeting the NS2B-NS3 protease of Dengue virus. Slow evaporation from methanol results in the formation of monoclinic crystals C2/c space group with eight molecules in the unit cell (a=20.0165(3) Å, b=7.7594(10) Å, c=19.4809(3) Å, α=90 °, β=111.368(1) °, γ=90 ° and Z=8).Three dimensional X-ray crystallographic structure of the compound has been determined and refined using SHELXS-97 and SHELXL-2014, respectively to a final R-value of 4.64%
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