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Link between isostructurality, polymorphism, and weak interactions in palladacycle crystals: Chemical insight

机译：Palladacycle晶体的同构性，多态性和弱相互作用之间的联系：化学见解

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A series of organopalladium salts of the general formula, LPdX {L = phenyl azo-thioether based tridentate (C, N, S) ligand with different substituent and X = Cl, Br, I, NO_3, ClO_4}, have been synthesized with an objective to investigate the reliability of auxiliary C-H?X synthons in dictating the crystal packing of these molecules. The compounds were characterized both in solution and solid state by spectroscopic and X-ray diffraction methods. Crystal structures of these solids show that the presence of two phenyl rings with almost planar configuration enforces stacking between the molecules through φ?φ and C-H?φ interactions. The nature of the stacking, however, varied depending on the relative strength of C-H?X interactions. Methyl substituted ligand resulted in isostructural solids for all halo salts. The unsubstituted and chloro substituted ligands yielded isostructures only for chloride and bromide salts. The chloride salt of chloro-substituted ligand led to a pair of concomitant polymorphs. The salts based on polyatomic anions, namely, nitrate and perchlorate resulted in different crystal packing because of dominant C-H?O interactions. The paper highlights the influence of auxiliary C-H?X interactions in dictating isostructures and polymorphs among a series of palladacycle crystals.
机译：已合成了一系列通式为LPdX的有机钯盐{L =具有不同取代基的苯基偶氮硫醚基三齿（C，N，S）配体，X = Cl，Br，I，NO_3，ClO_4}，其中目的研究辅助CH 2 X合成子在决定这些分子的晶体堆积中的可靠性。通过光谱和X射线衍射方法对化合物在溶液和固态下进行表征。这些固体的晶体结构表明，存在两个几乎为平面构型的苯环，通过φφφ和C-Hφφ相互作用迫使分子之间堆积。然而，堆叠的性质根据C-H 2 X相互作用的相对强度而变化。甲基取代的配体产生所有卤素盐的同构固体。未取代的和氯取代的配体仅对氯化物和溴化物盐产生同构。氯取代的配体的氯化物盐导致一对伴随的多晶型物。基于多原子阴离子的盐，即硝酸根和高氯酸根，由于主要的C-H2O相互作用而导致不同的晶体堆积。本文重点介绍了辅助C-H2X相互作用对指示一系列Palladacycle晶体之间的同构和多晶型的影响。

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