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氯代-(2,6-二甲基-苯基异腈)[μ-(2,6-二甲基-苯基)-μ-(吡啶-2-基)氨基甲脒基]铂(II)的晶体结构和 Hirshfeld 表面分析

Crystal structure and Hirshfeld surface analysis of chlorido-(2,6-di-methyl-phenyl isocyanide)['-(2,6-di-methyl-phen-yl)--(pyridin-2-yl)carbamimido-yl]platinum(II).

作者信息

Repina Olga V, Nevskaya Elena Yu, Kritchenkov Ilya S, Khrustalev Victor N, Novikov Alexander S, Tskhovrebov Alexander G, Shikhaliyev Namiq Q, Niyazova Aytan A, Akkurt Mehmet, Bhattarai Ajaya

机构信息

Peoples' Friendship University of Russia, 6 Miklukho-Maklaya Street, Moscow, 117198, Russian Federation.

Zelinsky Institute of Organic Chemistry Russian Academy of Sciences (RAS) Leninsky Prospect 47 119991 Moscow Russian Federation.

出版信息

Acta Crystallogr E Crystallogr Commun. 2025 Jun 10;81(Pt 7):587-590. doi: 10.1107/S2056989025005079. eCollection 2025 Jul 1.

DOI:10.1107/S2056989025005079
PMID:40630658
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC12230611/
Abstract

In the title compound, [Pt(CHN)Cl(CHN)], the platinum atom has a square-planar geometry. In the crystal, dimers with (8) motifs are formed by pairs of N-H⋯N hydrogen bonds. They are connected to each other through pairs of weak C-H⋯Cl inter-actions, forming a (16) motif, creating parallel ribbons along the [011] axis. The mol-ecular pairs are also linked by C-H⋯π and by π-π inter-actions, the shortest centroid-centroid distance [3.513 (2) Å] being observed between pyridyl rings. These weak inter-actions form parallel ribbons along the [010] axis. The resulting three-dimensional network ensures the cohesion of the crystal structure. Hirshfeld two-dimensional fingerprint plots revealed that the most significant inter-actions are H⋯H (58.0%), C⋯H/H⋯C (17.9%), Cl⋯H/H⋯Cl (10.7%), N⋯H/H⋯N (6.9%), C⋯C (2.9%), Pt⋯H/H⋯Pt (2.6%), and N⋯C/C⋯N (1.1%) contacts.

摘要

在标题化合物[Pt(CHN)Cl(CHN)]中,铂原子具有平面正方形几何构型。在晶体中,通过N-H⋯N氢键对形成具有(8) motif的二聚体。它们通过弱的C-H⋯Cl相互作用对彼此相连,形成(16) motif,沿[011]轴形成平行的带状结构。分子对还通过C-H⋯π和π-π相互作用相连,吡啶环之间观察到最短质心-质心距离[3.513 (2) Å]。这些弱相互作用沿[010]轴形成平行的带状结构。由此产生的三维网络确保了晶体结构的凝聚性。 Hirshfeld二维指纹图谱显示,最显著的相互作用是H⋯H (58.0%)、C⋯H/H⋯C (17.9%)、Cl⋯H/H⋯Cl (10.7%)、N⋯H/H⋯N (6.9%)、C⋯C (2.9%)、Pt⋯H/H⋯Pt (2.6%)和N⋯C/C⋯N (1.1%)接触。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/558a/12230611/26ca90fdfa7b/e-81-00587-fig5.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/558a/12230611/eac6c3eb05d6/e-81-00587-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/558a/12230611/60ae4827564d/e-81-00587-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/558a/12230611/718a115e46b4/e-81-00587-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/558a/12230611/51ec808e3d8d/e-81-00587-fig4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/558a/12230611/26ca90fdfa7b/e-81-00587-fig5.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/558a/12230611/eac6c3eb05d6/e-81-00587-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/558a/12230611/60ae4827564d/e-81-00587-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/558a/12230611/718a115e46b4/e-81-00587-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/558a/12230611/51ec808e3d8d/e-81-00587-fig4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/558a/12230611/26ca90fdfa7b/e-81-00587-fig5.jpg

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