Characterization of molecular complexes of 1,4-naphthoquinone derivatives

Marjit Singh W.; Baruah J.B.

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Characterization of molecular complexes of 1,4-naphthoquinone derivatives

机译：1,4-萘醌衍生物分子配合物的表征

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The structures of sulphur atom tethered quinone containing flexible carboxylic acid (3-methyl-1,4-dioxo-1,4-dihydronaphthalen-2-ylsulfanyl)acetic acid (1) and its molecular complex with 4,4′-bipyridine (3) are determined. The compound 1 crystallizes in P-1 (triclinic, a = 7.5378(6) ?, b = 7.6413(7) ?, c = 10.3101(9) ?; α = 89.779 (7)°, β = 81.042 (5)°, γ = 89.101(7)°) and the molecular complex 3 crystallises in P2(1) (monoclinic, a = 9.3383(7) ?, b = 3.970(3) ?, c = 42.130(3) ?, β = 91.056(5)°) space groups, respectively. The R _2~2 (8) type hydrogen bonding between dicarboxylic acid groups present in the parent compound 1 is lost on interaction with 4, 4′-bipyridine; in the molecular complex 3 R _2~2 (7) type of O???H-C and O-H???N interactions are present between the pyridine rings and carboxylic acid groups. The molecular complex (4) derived from 3-carboxymethylsulfanyl-1,4- dihydroxynaphthalen-2-yl-sulfanyl) acetic acid (2) with triphenylphosphine oxide in 1:2 ratio, crystallises in C2/c space group have monoclinic, a = 26.0494(13) ?, b = 10.5402(5) ?, c = 17.1023(8) ?, β = 108.719 (5)°). The triphenylphosphine oxide molecules are preferentially held by O-H???O interactions between carboxylic acid and P=O bond.

机译：含柔性羧酸（3-甲基-1,4-二氧代-1,4-二氢萘-2-基硫烷基）乙酸（1）的硫原子束缚醌的结构及其与4,4'-联吡啶的分子配合物（3 ）确定。化合物1在P-1中结晶（三斜晶系，a = 7.5378（6）α，b = 7.6413（7）α，c = 10.3101（9）α;α= 89.779（7）°，β= 81.042（5）° ，γ= 89.101（7）°），分子复合物3结晶为P2（1）/ n（单斜晶系，a = 9.3383（7）α，b = 3.970（3）α，c = 42.130（3）α，β = 91.056（5）°）空间组。与4、4'-联吡啶相互作用时，母体化合物1中存在的二羧酸基团之间的R _2〜2（8）型氢键消失;在分子配合物中，吡啶环与羧酸基团之间存在3 R _2〜2（7）型的O-H-C和O-H-N相互作用。由3-羧甲基硫烷基-1,4-二羟基萘-2-基硫烷基）乙酸（2）与三苯基氧化膦以1：2的比例衍生的分子配合物（4），在C2 / c空间基团中结晶为单斜晶，a = 26.0494（13）θ，b ＝ 10.5402（5）θ，c ＝ 17.1023（8）θ，β＝ 108.719（5）°）。三苯基膦氧化物分子优先通过羧酸和P ＝ O键之间的O-H-O相互作用来保持。

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《Journal of chemical crystallography》 |2011年第7期|共7页
作者
Marjit Singh W.; Baruah J.B.;
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正文语种 eng
中图分类晶体学;
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1; 4-Naphthoquinone derivatives; Crystal structure; Electrochemistry; Molecular complexes;

机译：1;4-萘醌衍生物;晶体结构;电化学;分子配合物;

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Characterization of molecular complexes of 1,4-naphthoquinone derivatives

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