A new proton transfer compound, formulated as (Hamp-6-pic)(Hpyzd) ∙H2O (1), has been synthesized from the reaction of pyrazine-2,3-dicarboxylic acid (H2pyzd)  and 2-amino-6-methyl pyridine (amp-6-pic), in 1:1 molar ratio. Extensive O−H×××O, N−H×××N and O−H×××O hydrogen bonds involving (Hamp-6-pic)+ cation, (Hpyzd)- anion and co-crystal water molecule٫ static electronic٫ and π…π stacking interac...

In this work, a molecular dynamics simulation of the transport of water - methanol mixture through the single wall carbon nanotube (SWCNT) is reported. Methanol and water are selected as fluid molecules since water represents a strongly polar molecule while methanol is as an intermediate between polar and strongly polar molecules. Some physical properties of the methanol-water mixture such as r...

Computational studies are performed to analyze the physical properties of hydrogen bonds donated by Tyr16 and Asp103 to a series of substituted phenolate inhibitors bound in the active site of ketosteroid isomerase (KSI). As the solution pK(a) of the phenolate increases, these hydrogen bond distances decrease, the associated nuclear magnetic resonance (NMR) chemical shifts increase, and the fra...

In photosystem II, oxygen evolution occurs by the accumulation of photo-induced oxidizing equivalents at the oxygen-evolving complex (OEC). The sequentially oxidized states are called the S(0)-S(4) states, and the dark stable state is S(1). Hydrogen bonds to water form a network around the OEC; this network is predicted to involve multiple peptide carbonyl groups. In this work, we tested the id...

In the title mol-ecule, C(22)H(20)N(2)O(4), the dihedral angles between the benzimidazole ring system and the benzene rings are 44.26 (2) and 82.91 (2)°. Intra-molecular O-H⋯O hydrogen bonds occur. In the crystal, O-H⋯N and O-H⋯O hydrogen bonds connect the mol-ecules into a two-dimension network parallel to (10[Formula: see text]) and weak inter-molecular C-H⋯O hydrogen bonds complete the forma...

In the crystal structure of the title compound, C(4)H(6)N(3) (+)·HSO(4) (-), hydrogen sulfate anions self-assemble through O-H⋯O hydrogen bonds, forming chains along the b axis, while the cations form centrosymmetric pairs via N-H⋯N hydrogen bonds. The 2-amino-pyrimidinium pairs are linked to the sulfate anions via N-H⋯O hydrogen bonds, forming a two-dimensional network parallel to (10[Formula:...

In the title compound, (C(4)H(12)N(2))[ZnCl(4)], the Zn atom adopts a slightly distorted tetra-hedral geometry. In the crystal, the dication and dianion inter-act by way of N-H⋯Cl and N-H⋯(Cl,Cl) hydrogen bonds to result in a layered network propagating in (010). The hydrogen-bonding network is unbalanced, with three Cl atoms accepting two hydrogen bonds each and one Cl atom not accepting any h...

Abstract We present new neutral hydrogen (Hi) observations of the nearby galaxy NGC 2403 to determine nature a low-column density cloud that was detected earlier by Green Bank Telescope. find this is tip complex filaments extraplanar gas coincident with main disk. The total Hi mass 2 × 10 7 M ⊙ or 0.6% H i galaxy. structure, previously referred as 8-kpc filament, now seen be even more extended,...