一种胍二酸铬单体的合成与结构

IF 0.6 4区化学 Q4 CRYSTALLOGRAPHY

Journal of Chemical Crystallography Pub Date : 2025-04-23 DOI:10.1007/s10870-025-01050-9

Sadaf Qayyum, Awal Noor

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引用次数: 0

摘要

四氢呋喃（THF）中等摩尔比[Li{ArNC(NMe2)Nar}(THF)] （Ar = c6h3pri2 -2,6）与CrCl3之间的盐复分解反应生成了单（胍）氯化铬络合物[Cr{ArNC(NMe2)Nar}Cl2(THF)2]。x射线分析证实其为固体单体，胍配体与六个配位的Cr中心呈双齿配位。八面体配位由两个氯原子和两个四氢呋喃分子完成。本文报道的化合物是胍基配体的单体卤化铬的第一个例子。Hirshfeld表面分析表明，H∙∙H相互作用、H∙∙C/C∙H和H∙∙Cl/Cl∙H氢键是分子间相互作用的三个因素，有时也是最重要的因素。化合物[C35H56Cl2CrN3O2]在单斜晶胞群P21/n中结晶，晶胞参数为：a = 11.5340(7) b = 17.6830(11) c = 18.0320（11） Å， β = 92.410(5), V = 3674.5(4) A3, Z = 4。

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A Monomeric Chromium Guanidinate– Synthesis and Structure

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A Monomeric Chromium Guanidinate– Synthesis and Structure

Salt metathesis reaction between equimolar ratios of [Li{ArNC(NMe₂)Nar}(THF)] (Ar = C₆H₃Prⁱ₂-2,6) and CrCl₃ in tetrahydrofuran (THF) leads to a mono(guanidiante) chromium(III) chloride complex, [Cr{ArNC(NMe₂)Nar}Cl₂(THF)₂]. X-ray analysis confirms it to be monomeric in solid state in which guanidinate ligand is coordinated in bidentate fashion to the six coordinated Cr center. The octahedral coordination is completed by two chloride atoms and two THF molecules. The herein reported compound is the first example of monomeric chromium halides of guanidinate ligands. Hirshfeld surface analyses indicate that H∙∙∙H interactions, H∙∙∙C/C∙∙∙H and H∙∙∙Cl/Cl∙∙∙H H–bonds are the three and at times the strongest contributions for the intermolecular interactions. The title compound, [C₃₅H₅₆Cl₂CrN₃O₂], crystallized in the monoclinic space group, P2₁/n with cell parameters: a = 11.5340(7) b = 17.6830(11) c = 18.0320(11) Å, β = 92.410(5), V = 3674.5(4) A³, Z = 4.

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来源期刊

Journal of Chemical Crystallography 化学-光谱学

CiteScore

1.50

自引率

12.50%

发文量

审稿时长

6.3 months

期刊介绍： Journal of Chemical Crystallography is an international and interdisciplinary publication dedicated to the rapid dissemination of research results in the general areas of crystallography and spectroscopy. Timely research reports detail topics in crystal chemistry and physics and their relation to problems of molecular structure; structural studies of solids, liquids, gases, and solutions involving spectroscopic, spectrometric, X-ray, and electron and neutron diffraction; and theoretical studies.