X-ray and IR studies on crystal and molecular structure of 4-nitro-2,6-diphenylphenol. Stereochemistry of bifurcated OH⋯π hydrogen bonds

Further crystallographic evidence of NH� � �? (system) and CO� � �? (system) interactions: The structures of bis(diarylhydrazonecarbonyl)methylene derivatives [{ArPhC?NNH?C(O)}2CH2] (Ar = Ph, 2-C5H4N, 2-C4H3S)

“…2.6 -2.7 Å. [11][12][13][14] We have found in a few cases analogous features when X is a carbon atom and reached similar quantified conclusions. 15,16 Crystallographic studies have also provided direct evidence of energetically and structurally significant interactions between CAO groups and arene rings 9 ; in all these cases the carbonyl group points toward the centroid of the aromatic ring at distances in the range of 2.8 -3.2 Å. Interestingly, the corresponding stabilizing interactions give reason of specific molecular geometries.…”

“…15,16 Crystallographic studies have also provided direct evidence of energetically and structurally significant interactions between CAO groups and arene rings 9 ; in all these cases the carbonyl group points toward the centroid of the aromatic ring at distances in the range of 2.8 -3.2 Å. Interestingly, the corresponding stabilizing interactions give reason of specific molecular geometries. 9,11 Following our previous studies on the reactivity of carbon suboxide, C 3 O 2 , 17,18 with suitable stabilized phosphorus ylides, which yielded bis-ylidic derivatives of malonic acid, 19 we have obtained new molecules producing self-assembled networks in the solid state.…”

Molecular conformations and π-hydrogen bonds in anti- and syn-binuclear Rh(I) complexes of as-indacene-diide: a computational study

“…This confirms that the intramolecular p-hydrogen interactions in complex II are of the so-called edge type [59], i.e., the C-H group interacts with only two adjacent carbons of the six-membered ring of the indacene-diide bridge. Similar intra-molecular contacts have already been observed in crystalline 2,6-diphenylphenol [60] and 4-nitro-2,6-diphenylphenol [61].…”

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

“…Early evidence for X-H/π hydrogen bonding comes from infrared spectroscopy studies conducted in the 1950s and 1960s by David et al [172], Josien et al [173], Oki et al [174] and Yoshida et al [175]. More recently, extensive searches of the Cambridge Crystallographic Structural Database have confirmed the presence of these interactions in a wide range of organic molecules [176,177,178]. Figure 9.…”