CH/π Interactions Implicated in the Crystal Structure of Transition Metal Compounds − A Database Study

Suezawa, Hiroko; Yoshida, Takashi; Umezawa, Yōji; Tsuboyama, Sei; Nishio, Motohiro

doi:10.1002/1099-0682(200212)2002:12<3148::aid-ejic3148>3.0.co;2-x

Cited by 184 publications

(105 citation statements)

References 18 publications

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“…The shortest interatomic distance (C3···H24, 2.88 Ǻ) between the pyridine rings was almost the same as the sum of the van der Waals radii (2.90 Ǻ). Therefore, C-H· · · π interaction [40,41] was hardly observed in the present C 16 py-W 10 . C 16 py-W 10 had C-H···O hydrogen bonds [40] at the interface between the W 10 and C 16 py layers.…”

Section: Crystal Structure Of C 16 Py-w 10mentioning

confidence: 59%

Polyoxotungstate-Surfactant Layered Crystal toward Conductive Inorganic-Organic Hybrid

et al. 2012

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A polyoxotungstate-surfactant hybrid layered compound was synthesized as a single phase by using decatungstate ([W 10 O 32 ] 4− , W 10 ) and hexadecylpyridinium (C 16 py).The X-ray structure analysis combined with infrared spectroscopy and elemental analysis revealed the formula to be (C 16 py) 4 [W 10 O 32 ] (C 16 py-W 10 ). The layered structure consisted of alternative stacking of W 10 inorganic monolayers and interdigitated C 16 py bilayers with layered periodicity of 23.3 Å. Each W 10 anion in the W 10 inorganic monolayers was isolated by the hydrophilic heads of C 16 py. The hybrid crystals of C 16 py-W 10 decomposed at around 500 K. The conductivity of the hybrid layered crystal was estimated to be 4.8 × 10 −6 S cm −1 at 423 K by alternating current (AC) impedance spectroscopy.

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Section: Crystal Structure Of C 16 Py-w 10mentioning

confidence: 59%

Polyoxotungstate-Surfactant Layered Crystal toward Conductive Inorganic-Organic Hybrid

et al. 2012

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“…As multiple C-H/π interactions formed between side chains can be significant, they may be considered as one of the driving forces to constrain a peptide conformation and consequently direct specific conformation in many proteins [156]. Using the crystal structure database Nishio et al investigated the C-H/π interactions in peptides [157,158]. Evidence to indicate that 42% of the structures studied exhibited such aromatic interactions was found.…”

Section: C-h/π Hydrogen Bondsmentioning

confidence: 99%

It Is Important to Compute Intramolecular Hydrogen Bonding in Drug Design?

Yunta¹

2017

AJMO

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The effect of weak intermolecular interactions on the binding affinity between ligand-protein complexes plays an important role in stabilizing a ligand at the interface of a protein structure. In this review article, we will explore the different ways of taking into account these interactions, mainly intramolecular hydrogen bonds, in docking calculations. Their possible limitations and their suitable application domains are highlighted. Inspection of the outliers of this study probed very stimulating, as it provides opportunities and inspiration to medicinal chemists, being a reminder of the impact that minimal chemical modifications can have on biological activities.

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“…Mimicking the situation in all-organic molecules, in organometallic crystal structures, short CH/π distances were found in almost a half of the CSD entries [150]. The number of complexes featuring C 60 also prompted systematic analyses of data for trends [151].…”

Section: Organometallic Compoundsmentioning

confidence: 99%