π-interactions
Theoretical study on the polar hydrogen-π (Hp-π) interactions between protein side chains
... Hp-π interactions are a unique interaction type that cannot be classified into other molecular interaction types, such as common hydrogen bond [21-25], cation-π interaction [26-29], electrostatic ...
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Methyl 4 tosyloxybenzoate: supramolecular aggregation through C—H⋯O, C—H⋯π and π–π interactions
... symmetrical hydrogen bonded chelate (Desiraju, 1989) and is also observed in similar structures (Vembu et al., 2003, 2003b,c). There are several other weak C—H···O interactions (Fig. 2) and C—H···π ...
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N (3 Chlorophenyl) α (2 hydroxyphenyl)nitrone: supramolecular aggregation through π–π and C–H⋯π interactions
... by π–π interactions, with a distance of ...C—H···π interactions between the H atoms on C3 and C9 and the hydroxy- phenyl and chlorophenyl rings, respectively (Table ...These ...
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Benzene 1,3,5 tris(p toluenesulfonate): supramolecular aggregation through extensive C—H⋯O, C—H⋯π and π–π interactions
... The crystal structure is stabilized by weak CÐH O interactions (Table 2). The range for the H O distances found in (I) agree with those found for weak CÐH O bonds (Desiraju & Steiner, 1999). The C2ÐH2 O2 and ...
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2 Methylphenyl 4 toluenesulfonate: supramolecular aggregation through weak C—H⋯O, C—H⋯π and π–π interactions
... The crystal structure of (I) is stabilized by weak CÐH O interactions (Table 2). The H O distances found in (I) agree with those found for weak CÐH O bonds (Desiraju & Steiner, 1999). In (I), the C2ÐH2 O2, ...
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2 Nitrophenyl 4 toluenesulfonate: supramolecular aggregation through weak C—H⋯O, C—H⋯π and π–π interactions
... The crystal structure of (I) is stabilized by weak CÐH O interactions (Table 2). The range for the H O distances in (I) agrees with those found for weak CÐH O bonds (Desiraju & Steiner, 1999). In (I), each of ...
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2,4 Dichlorophenyl 4 toluenesulfonate: supramolecular aggregation through C—H⋯O, C—H⋯Cl, C—H⋯π and π⋯π interactions
... The crystal structure of (I) is stabilized by weak C—H···O interactions. The range for the H···O distances (Table 2) agrees with that found for weak C—H···O bonds (Desiraju & Steiner, 1999). The C4—H4···O1 ...
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4 Dimethylaminopyridinium 2,4 dinitrophenolate: supramolecular aggregation through N—H⋯O, C—H⋯O, C—H⋯π and π–π interactions
... containing π-electron systems asymmetrized by electron-donor and -acceptor groups are highly polarizable entities in which problems of transparency and crystal growth may arise from their molecular crystal packing ...
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The multiple roles of histidine in protein interactions
... cation-π interactions between His + and the metallic cations ...repulsive interactions. Figure 3 shows the repulsive cation-π interactions between the protonated histidine (His + ) and ...
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catena Poly[[(2,2′ bipyridine N,N′)cobalt(II)] μ 4,4′ oxydibenzoato O,O′:O′′,O′′′]
... Coordination compounds crystallized from polyaromatic acids and metal ions are of interest for their polymeric network structures and their magnetic and porous properties (Yaghi et al., 1995, 1996; Plater, Roberts & ...
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2 {(E) [(2Z) 2 (1,2 Dihydrophthalazin 1 ylidene)hydrazinylidene]methyl}phenol
... bonding interactions are found between the neighbouring molecules with D···A distances of ...of π–π stacking ...the π-stacked dimers, are between phenol rings of neighboring molecules ...
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... cation-π interactions enhance the stability of coordination compounds such as Cu(II) chelates with amino acids (6, 7), but interactions with aromatic side chains may also include π-π ...
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University of New Hampshire University of New Hampshire Scholars' Repository
... )-H···π interactions involving one ortho hydrogen atom on each phenyl substituent and one π bond associated with the ipso carbon of the other phenyl substituent ...
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ffa8193faf6d461c06394152bacf0ee4291607b8.pdf
... and π – π interactions at the CNT-polymer matrix ...favorable π–π interactions between the carbon nanofiller surface and the planar ODPA-P3 phthalimide and phenylene ...
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2,2′ Sulfonylbis(2 benzoyl 3 phenyloxirane)
... C—H···π interactions are expected to play a dominent role in stablizing the crystal ...C—H···π interactions using the Cambridge Structural Database (Allen & Kennard, 1993) and theoretical ...
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Modelling Biomolecules: Studies on P-Type ATPases, DNA-Ligand Interactions and π-π Networks in Proteins
... of π - π networks is ubiquitous across all classes of pr ...signify π -π interactions (Figure ...of π-π networks in various protein superfamilies based on SCOP, CATH and ...
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Diphenic acid–acridine (1/1)
... The asymmetric unit of complex (I) comprises of two acid and two base molecules (Fig. 1). The torsion angles of the two phenyl rings are approximately 72° and 89°, respectively. A two-acid–two-base unit exists (Fig. 2), ...
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2 Butanoyloxy 5 nitrotropone
... However, the packing in I is distinct form that of 5-nitrotropolone Kubo et al., 2001, which features intermolecular NO2—π–π interactions.. Thus, the substitution at O2 results in a diff[r] ...
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Ag(I) bipyridyl coordination polymers containing functional anions
... Ag...C π interaction with a pyridyl ring and these interactions form links connecting neighbouring double chain ...Short π-π interactions between azine ligands exist within the double ...
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Synthesis and crystal structure studies of amino derivatives of 4 chlorophenacyl benzoate
... H… π interactions and weak π − π stacking interactions in compound 2b whereas the stability is mainly due to Van der Waals interactions in compounds 2a and ...
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