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Induction of Λ-helicity in a zinc complex with an alanine-appended aminopyridine ligand
Acta Crystallographica Section C ( IF 0.7 ) Pub Date : 2021-07-07 , DOI: 10.1107/s2053229621006471 Berislav Perić 1 , Zoran Kokan 1 , Srećko I Kirin 1
Acta Crystallographica Section C ( IF 0.7 ) Pub Date : 2021-07-07 , DOI: 10.1107/s2053229621006471 Berislav Perić 1 , Zoran Kokan 1 , Srećko I Kirin 1
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The crystal structure of tris[dimethyl 5-({1-[(pyridin-2-yl-κN)carbamoyl-κO]ethyl}carbamoyl)benzene-1,3-dicarboxylate]zinc(II) dinitrate acetonitrile trisolvate, [Zn(C19H19N3O6)3](NO3)2·3CH3CN or [Zn(L)3](NO3)2·3CH3CN, (1), has been determined by single-crystal X-ray diffraction. The neutral ligand L coordinates to the Zn2+ cation in a bidentate fashion via the pyridine N atom and an amide O atom, forming a six-membered chelate ring. The Λ-helical chirality of the Zn2+ coordination sphere is induced by pendant l-alanine residues through stacking interactions between the arene groups of two coordinated ligands, assisted by a hydrogen bond between amide groups bonded to the stacked arene rings. The third ligand is coordinated to the Zn2+ cation by the same six-membered chelate ring, but in the opposite direction with respect to the analogous chelate rings of the first two coordinated ligands. Besides ionic interactions between [ZnL3]2+ complexes and NO3− anions, several types of hydrogen bonds and intermolecular stacking interactions contribute to the stability of the solid-state phase.
中文翻译：
在具有附加丙氨酸的氨基吡啶配体的锌复合物中诱导 Λ-螺旋
三的晶体结构[二甲基-5 - （{1 - [（吡啶-2-基- κ Ñ）氨基甲酰基-κ ö ]乙基}氨基甲酰基）苯-1,3-二羧酸二乙酯]锌（II）的二硝酸盐乙腈trisolvate，[ Zn(C 19 H 19 N 3 O 6 ) 3 ](NO 3 ) 2 ·3CH 3 CN 或[Zn( L ) 3 ](NO 3 ) 2 ·3CH 3 CN, ( 1 )晶体 X 射线衍射。中性配体大号坐标中的Zn 2+阳离子的二齿的方式经由吡啶N原子和酰胺O原子形成六元螯合环。Zn 2+配位球的Λ-螺旋手性由侧挂的l-丙氨酸残基通过两个配位配体的芳烃基团之间的堆叠相互作用诱导，由键合至堆叠芳烃环的酰胺基团之间的氢键辅助。第三个配体通过相同的六元螯合环与 Zn 2+阳离子配位，但与前两个配位配体的类似螯合环方向相反。除了 [Zn L 3 ] 2+络合物和 NO 3 -之间的离子相互作用 阴离子、几种类型的氢键和分子间堆积相互作用有助于固态相的稳定性。
更新日期：2021-08-05
中文翻译：
在具有附加丙氨酸的氨基吡啶配体的锌复合物中诱导 Λ-螺旋
三的晶体结构[二甲基-5 - （{1 - [（吡啶-2-基- κ Ñ）氨基甲酰基-κ ö ]乙基}氨基甲酰基）苯-1,3-二羧酸二乙酯]锌（II）的二硝酸盐乙腈trisolvate，[ Zn(C 19 H 19 N 3 O 6 ) 3 ](NO 3 ) 2 ·3CH 3 CN 或[Zn( L ) 3 ](NO 3 ) 2 ·3CH 3 CN, ( 1 )晶体 X 射线衍射。中性配体大号坐标中的Zn 2+阳离子的二齿的方式经由吡啶N原子和酰胺O原子形成六元螯合环。Zn 2+配位球的Λ-螺旋手性由侧挂的l-丙氨酸残基通过两个配位配体的芳烃基团之间的堆叠相互作用诱导，由键合至堆叠芳烃环的酰胺基团之间的氢键辅助。第三个配体通过相同的六元螯合环与 Zn 2+阳离子配位，但与前两个配位配体的类似螯合环方向相反。除了 [Zn L 3 ] 2+络合物和 NO 3 -之间的离子相互作用 阴离子、几种类型的氢键和分子间堆积相互作用有助于固态相的稳定性。
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