The title compound, 5-(1H-indol-3-yl)-1-methyl-3-phenyl-1,6-benzodiazocin-2(1H)-one, was synthesized for the first time by a one-step, two-component reaction between 1-methylbenzimidazole and benzoylindolyl-3-acetylene. product characterized 1H-NMR, 13C-NMR, IR spectroscopy HRMS.

In the title compound, C(13)H(11)N(3), the benzotriazole ring system is essentially planar, with a maximum deviation of 0.0173 (18) Å, and forms a dihedral angle of 75.08 (8)Å with the phenyl ring. In the crystal, pairs of weak C-H⋯N hydrogen bonds form inversion dimers. In addition, there are weak C-H⋯π(arene) inter-actions and weak π-π stacking inter-actions, with a centroid-centroid distance...

Here, Tj is a time period that species X spent in state n, and Tsim is the total simulation time. For the species X1 shown in Figure 1 of the manuscript, as first sight, one might think that P (X1 = 0) << P (X1 = 1) because X1 = 1 during 19 of the 20 simulated time steps. In stochastic simulations, reaction events are irregular due to their stochastic nature. In this particular example, the fir...

In the title compound, C(6)H(5)N(3)O·C(13)H(11)N(3)O, the benzo-triazole ring system in the 1-benzyl-1H-benzotriazole 3-oxide (A) mol-ecule is close to being planar (r.m.s. deviation = 0.011 Å); its mean plane forms a dihedral angle of 67.56 (7)° with that of the attached phenyl ring. The benzotriazole ring system in the 1-hy-droxy-benzotriazole (B) mol-ecule is also close to being planar (r.m....

reaction between aromatic aldehydes and 3–methyl-1-phenyl-2-pyrazoline-5-one catalyzed by nano-sio2/hclo4 in water under reflux provided a simple and efficient route for the synthesis of 4-((5-hydroxy-3-methyl-1-phenyl-1h-pyrazol-4-yl)(aryl)methyl)-3-methyl-1-phenyl-1h-pyrazol-5-ol derivatives in high yields.