نتایج جستجو برای: intramolecular hydrogen bond
تعداد نتایج: 210500 فیلتر نتایج به سال:
The computational insights illustrate the intramolecular hydrogen bonding/stability versus aromaticity analyses of a variety several sets multi-substituted OH/SH benzenes using quantifying approaches (NICS, HOMA, PDI, and AIBIC for aromaticity) (Relative Energy, HOMO-LUMO gap, QTAIM, HBSBIC stability/hydrogen bond strength) in framework density function theory (DFT) approach ab initio calculati...
In the hydrazone molecule of the title compound, C(13)H(9)I(2)N(3)O(2)·CH(3)CN, the aromatic rings form a dihedral angle of 9.4 (3)°. In the crystal structure, inter-molecular I⋯N inter-actions [3.099 (4) Å] link hydrogen-bonded aggregates of the hydrozone and solvent molecules related by translation along the b axis into chains. An intramolecular O-H⋯N hydrogen bond forms an S(6) ring.
The synthesis and properties of a novel class of ortho-dialkylamino-substituted semisquaraines are described. The exceptionally low reactivity of the investigated compounds is caused by an intramolecular hydrogen bond as evidenced by experimental and computational studies. Although this constitutes the reason for our failed attempts to prepare poly(m-phenylene-alt-squaraine)s, the discovered in...
The title compound, C(11)H(14)N(2)O(2)S, was synthesized from furoyl isothio-cyanate and piperidine in dry acetone. The thio-urea group is in the thio-amide form. The thio-urea group makes a dihedral angle of 53.9 (1)° with the furan carbonyl group. In the crystal structure, mol-ecules are linked by inter-molecular N-H⋯O hydrogen bonds, forming one-dimensional chains along the c axis. An intram...
The title Schiff base compound, C25H19NO2S, crystallizes in a statistically disordered structure comprising keto and enol tautomeric forms. In the enol form, the benzenoid arrangment is promoted by a strong intra-molecular O-H⋯N hydrogen bond and adopts an E conformation about the imine bond. In the keto form there is an intramolecular N-H⋯O hydrogen bond. In the crystal, an extended network of...
High-resolution spectra of the intramolecular bending modes of deuterated water dimer, (D2O)2, have been measured using a quantum cascade laser based cavity ringdown spectrometer. Two perpendicular bands have been observed and are assigned as the K(a) = 1 ← 0 and K(a) = 2 ← 1 bands of the bending mode of the hydrogen bond donor. The tunneling splittings in the complex are well-resolved, and it ...
In the title compound, C(19)H(19)NO(5), the furan-one unit makes a dihedral angle of 30.93 (6)° with the benzene ring and a dihedral angle of 9.51 (6)° with the aniline ring. In the crystal, inter-molecular C-H⋯O hydrogen bonds and C-H⋯π contacts link the mol-ecules into sheets. A weak intramolecular hydrogen bond is also observed.
[reaction: see text] We report for the first time that stoichiometric and even catalytic quantities of weak acids in aqueous solution can very efficiently catalyze amide isomerization in a carefully designed system in which a proton donor is situated so that intramolecular hydrogen bonding to the amide nitrogen is highly favored. Our results provide the first experimental verification that hydr...
In the crystal structure of the title compound, C(13)H(8)O(4), the inversely oriented mol-ecules form inversion dimers through pairs of O-H⋯O hydrogen-bonding inter-actions. An intramolecular O-H⋯O hydrogen bond occurs. In the packing of the mol-ecules, the nearly planar 2-(furan-2-yl)-4H-chromene units [dihedral angle between the chromene and furan rings = 3.8 (1)°] are either parallel or incl...
The title compound, C(20)H(18)Cl(2)F(2)N(2)O(5), is considered to belong to the fourth generation of insecticides with properties such as high selectivity, low acute toxicity for mammals and high biological activity. An intramolecular N-H⋯O hydrogen bond results in the formation of a six-membered ring. In the crystal structure, intermolecular N-H⋯O and C-H⋯F hydrogen bonds link the molecules.
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