Theoretical insights into the excited state hydrogen bond and ESIPT reaction for 2-amino-3-(2’-benzoxazolyl)quinoline and 2-amino-3-(2’-benzothiazolyl)-quinoline
نویسندگان
چکیده
منابع مشابه
2-Amino-3-nitropyridinium hydrogen oxalate
In the non-centrosymetric title compound, C(5)H(6)N(3)O(2) (+)·C(2)HO(4) (-), the hydrogen oxalate anions form corrugated chains parallel to the c axis, linked by O-H⋯O hydrogen bonds. The 2-amino-3-nitro-pyridinium cations are anchored between theses chains by N-H⋯O and C-H⋯O hydrogen bonds and van der Waals and electrostatic inter-actions, creating a three-dimensional network.
متن کامل2-Amino-3-nitropyridinium hydrogen selenate
The asymmetric unit of the title compound, C(5)H(6)N(3)O(2) (+)·HSeO(4) (-), contains two monoprotonated 2-amino-3-nitro-pyridinium cations and two hydrogen selenate anions which are connected through N-H⋯O and O-H⋯O hydrogen bonds, building chains parallel to the a direction. These chains are further connected to each other by weaker C-H⋯O hydrogen-bonding inter-actions, leading to the formati...
متن کاملTHE SYNTHESES OF 1- [[2- AMINO -1 - (HYDROXYMETHYL) ETHOXY] METHYL] URACIL AND 1, 3-BIS (2- HALOETHOXYMETHYL) PYRIMIDINE
The syntheses of the title compounds are described. 1- [[2- Amino -1 - (hydroxymethyl) ethoxy] methyl] uracil exhibitslittleactivity against herpesviruses (HSV) in vivo
متن کامل2-Amino-3-[(E)-(2-hydroxy-3-methylbenzylidene)amino]but-2-enedinitrile
The title compound, C(12)H(10)N(4)O, is a Schiff base obtained from the condensation of diamino-maleonitrile and 2-hy-droxy-3-methyl-benzaldehyde. The mol-ecule is roughly planar, with an r.m.s. deviation of 0.0354 Å, and adopts the phenol-imine tautomeric form. An intra-molecular O-H⋯N hydrogen bond involving the O-H group and the azomethine N atom generates an S(6) ring. In the crystal, there...
متن کامل2-Amino-3-methylpyridinium 2-amino-5-methylpyridinium sulfate monohydrate
The asymmetric unit of the title compound, 2C(6)H(9)N(2) (+)·SO(4) (2-)·H(2)O, contains two isomeric protonated amino-methyl-pyridine cations, a sulfate anion and a solvent water mol-ecule. The cations are in the iminium tautomeric form. In the crystal structure, inter-molecular O-H⋯O, N-H⋯O and weak C-H⋯O hydrogen bonds link the components into a three-dimensional network. Additional stabiliza...
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ژورنال
عنوان ژورنال: Journal of Atomic and Molecular Sciences
سال: 2018
ISSN: 2075-1303,2079-7346
DOI: 10.4208/jams.042518.081318a