Synthesis and 3D Crystal Structure of New [C15H16B3N3O5].[Pd(SCN)4].2(H2O) Compound of Containing [Pd(SCN)4]-2 and Boroxine

Abstract

In this work, [C15H16B3N3O5].[Pd(SCN)4].2(H2O) has been synthesized and the crystal structure of the compound was determined by the X-ray diffraction method. X-Rays analysis shows the compound crystallizes in monoclinic system, space group P21/c, a=10.515 Å, b= 24.947 Å, c= 15.078 Å, 𝛼=90, β=134.215, γ=90, V=2834.8 Å3, Z=4. The anion [Pd(SCN)4]-2 in the compound has a slightly distorted square geometry around the center of the Pd atom. In the boroxine structure, the three covalent linked boron atom has a slightly distorted trigonal planar geometry while the four covalent linked boron atoms have a slightly distorted tetrahedral geometry. Pd-SCN···HO (boroxine), Pd-SCN···HO (water) and OH···O hydrogen bond interactions in combination of boroxine with [Pd(SCN)4]-2 forms 1D, 2D and 3D periodic structures.

Keywords

• Boroxine compound
• Single crystal structure
• Hydrogen bonds interactions

[Pd(SCN)4]-2 ve Boroksin İçeren Yeni [C15H16B3N3O5].[Pd(SCN)4].2(H2O) Bileşiğin Sentezi ve 3D Kristal Yapısı

Abstract

Bu çalışmada yeni [C15H16B3N3O5].[Pd(SCN)4].2(H2O) bileşiği sentezlendi ve bileşiğin kristal yapısı X-ışını kırınım yöntemiyle belirlendi. Kristalin X-ışınları analizi bileşiğin monoklinik P21/c uzay grubu ile, a=10.515 Å, b= 24.947 Å, c= 15.078 Å, 𝛼=90, β=134.215, γ=90, V=2834.8 Å3, Z=4 birim hücre parametrelerinde kristallendiğini gösterdi. Bileşikteki [Pd(SCN)4]-2 anyonu, Pd atomunun merkezi etrafında hafifçe bozulmuş bir kare geometriye sahiptir. Boroksin yapısında üç kovalent bağlı bor atomu hafifçe bozulmuş trigonal düzlemsel geometriye sahipken, dört kovalent bağlı bor atomları hafifçe bozulmuş tetrahedral geometriye sahiptir. Boroksin ile [Pd(SCN)4]-2 ‘nın kombinasyonundaki Pd-SCN···HO (boroksin), Pd-SCN···HO (su) ve O-H···O hidrojen bağ etkileşimleri 1D, 2D ve 3D periyodik yapılar oluşturmaktadır.

Keywords

• Boroksin bileşiği
• Tek kristal yapı
• Hidrojen bağ etkileşimleri

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