[PDF] Top 20 Crystal structure and DFT study of (E) N [2 (1H indol 3 yl)ethyl] 1 (anthracen 9 yl)methanimine
Has 10000 "Crystal structure and DFT study of (E) N [2 (1H indol 3 yl)ethyl] 1 (anthracen 9 yl)methanimine" found on our website. Below are the top 20 most common "Crystal structure and DFT study of (E) N [2 (1H indol 3 yl)ethyl] 1 (anthracen 9 yl)methanimine".
![Crystal structure and DFT study of (E) N [2 (1H indol 3 yl)ethyl] 1 (anthracen 9 yl)methanimine](data:image/gif;base64,R0lGODlhAQABAIAAAP///wAAACH5BAEAAAAALAAAAAABAAEAAAICRAEAOw==)
Crystal structure and DFT study of (E) N [2 (1H indol 3 yl)ethyl] 1 (anthracen 9 yl)methanimine
... The DFT study of (I) revealed that the HOMO and LUMO are loca- lized in the plane extending from the whole anthracene ring to the indole ring, and electron distribution of the HOMO-1, HOMO, LUMO and ... See full document
10
(E) 1,3 Bis(anthracen 9 yl)prop 2 en 1 one: crystal structure and DFT study
... using DFT [with Becke’s non- local three parameter exchange and the Lee–Yang–Parr correlation functional (B3LYP)] with the 6-311++G (d,p) basis set as implemented in Gaussian09 program package (Frisch et ...mized ... See full document
12
Crystal structure and DFT study of 2 (pyren 1 yl) 1H benzimidazole
... the crystal packing, which can permit the formation of highly ordered molecular aggregates in the solid state by archi- tecturally controlled self-assembly (Desiraju & Gavezzotti, 1989; Munakata et ... See full document
9
Crystal structure and theoretical studies of two π conjugated fused ring chalcones: (E) 1 (anthracen 9 yl) 3 (9 ethyl 9H carbazol 3 yl)prop 2 en 1 one and (E) 1 (anthracen 9 yl) 3 [4 (9H carbazol 9 yl)phenyl]prop 2 en 1 one
... Chalcones satisfy the criteria of three features essential for high nonlinear activity in an organic compound, which are: a strong electron donor, a highly polarizable -conjugated bridge and a strong -electron acceptor. ... See full document
24
Molecular conformational stability and spectroscopic analysis of n ((3 bromo 1 (phenylsulfonyl) 1h indol 2 yl)methyl)acetamide with experimental and quantum chemical calculations
... of N-((3-Bromo-1- (phenylsulfonyl)-1H-indol-2-yl)methyl)acetamide(N3BP2MA), has been carried out using the B3LYP correlation functional ...program. DFT calculations ... See full document
18
Crystal structure of 3 {5 [3 (4 fluorophenyl) 1 isopropyl 1H indol 2 yl] 1H pyrazol 1 yl}indolin 2 one ethanol monosolvate
... single crystal used for the crystal analysis was grown by the slow evaporation of a solution in chloroform–ethanol ...K). 1 HNMR (CDCl 3 ) in p.p.m.: 7.94 (s, 1H, NH, ... See full document
12
Crystal structure of N {[3 bromo 1 (phenylsulfonyl) 1H indol 2 yl]methyl}benzenesulfonamide
... Andreev, I. A., Manvar, D., Barreca, M. L., Belov, D. S., Basu, A., Sweeney, N. L., Ratmanova, N. K., Lukyanenko, E. R., Manfroni, G., Cecchetti, V., Frick, D. N., Altieri, A., Kaushik-Basu, ... See full document
9
Crystal structure of (E) diethyl 2 [(1 phenylsulfonyl 1H indol 3 yl)methylidene]succinate
... molecular structure is stabilized by weak non–classical C—H···O hydrogen bond which generates S(6) graph–set (Table 1 & ...Fig. 1) motif. The crystal structure is influenced by weak ... See full document
10
Crystal structure of 2 (2 bromophenyl) 4 (1H indol 3 yl) 6 (thiophen 2 yl)pyridine 3 carbonitrile
... of 3-(1H-indol-3-yl)-3-oxopropanenitrile 1 (1 mmol), 4,4,4-trifluoro-1-(thiophen-2-yl)butane-1,3-dione 2 (1 mmol) and ... See full document
10
Crystal structure of (E) 1(anthracen 9 ylmethylidene)[2 (morpholin 4 yl)ethyl]amine
... As shown in Fig. 1, the asymmetric unit of the title compound (I) consists of two independent molecules (A, B). The anthracene ring systems (C8–C21 and C29–C42) of the both molecules (A, B) are almostly planar ... See full document
13
Crystal structure and optical properties of fused ring chalcone (E) 3 (anthracen 9 yl) 1 (4 nitrophenyl)prop 2 en 1 one
... trans-3-(9-anthr- yl)-1-(4-methoxyphenyl)prop-2-en-1-one (refcode EMULIT; Zhang et ...2016), 3-(anthracen-9-yl)-1-(4-chlorophenyl)- ... See full document
10
The effect of the fused ring substituent on anthracene chalcones: crystal structural and DFT studies of 1 (anthracen 9 yl) 3 (naphthalen 2 yl)prop 2 en 1 one and 1 (anthracen 9 yl) 3 (pyren 1 yl)prop 2 en 1 one
... The crystal structures feature intermolecular C—H O and C—H ...to study the structural properties of the ...and DFT: 3.15 eV) and (II) (exp : 2.76 eV and DFT: ... See full document
17
Crystal structure of (2 methyl 1 phenylsulfonyl 1H indol 3 yl)(phenyl)methanone
... ethyl 2-acetoxymethyl-1-phenylsulfonyl- 1H-indole-3-carboxylate (Gunasekaran et ...2009), 3-iodo-2- methyl-1-phenylsulfonyl-1H-indole (Ramathilagam et ...and ... See full document
9
Crystal structure of (E) 1 {2 [(5,5 dimethyl 1,3,2 dioxaphosphinan 2 yl)oxy]naphthalen 1 yl} N (4 fluorophenyl)methanimine
... and 3 ml of dry n-hexane were added to afford the title compound as a pale- yellow crystalline solid (yield ...K). 1 H NMR (CDCl 3 , 450 MHz): 9.16 (s, 1H, CHN), ... See full document
9
Crystal structure of dibromido(N,N dimethylformamide κO){2 (1H indol 3 yl) N [(quinolin 2 yl κN)methylidene]ethanamine κN}cadmium
... base 2-(1H-indole-3-yl)-N-(quinolin-2-ylmethyl- ene)ethanamine (IQME) has not previously been ...structural study of Schiff-base metal complexes (Faizi & Hussain, ... See full document
10
Molecular structure, DFT studies and UV–Vis absorption of two new linear fused ring chalcones: (E) 1 (anthracen 9 yl) 3 (2 methoxyphenyl)prop 2 en 1 one and (E) 1 (anthracen 9 yl) 3 (3 fluoro 4 methoxyphenyl)prop 2 en 1 one
... The structure of anthracene is benzene-like, having three six-membered rings fused together in a planar-like ...O 2 (I) and C 24 H 17 FO 2 ... See full document
16
1 [6 (1H Indol 1 yl)pyridin 2 yl] 1H indole 3 carbaldehyde
... (Fig. 1) agree well with reported similar structure (Dileep et ...molecular structure is stabilized by weak intramolecular C—H···N interaction and the crystal packing is controlled by ... See full document
9
Crystal structure of (2 bromomethyl 1 phenylsulfonyl 1H indol 3 yl)(phenyl)methanone
... For the various biological properties of indole derivatives, see: Andreani et al. (2001); Bassindale (1984); Grinev et al. (1984); Porter et al. (1977); Rodriguez et al. (1985); Singh et al. (2000); Sundberg (1996). For ... See full document
10
Quantum Computational and Vibrational Spectroscopic Analysis on N ((1 (phenylsulfonyl) 3 (phenylthio) 1H indol 2 yl)methyl)acetamide
... To understand the bonding feature of the title molecule, the plot of the frontier orbitals, HOMO and LUMO are shown in Figure 6. The calculations indicate that the title molecule has 114 occupied molecular orbitals. The ... See full document
13
1 (2,4 Dihydroxyphenyl)ethanone [(1H indol 3 yl)acetyl]hydrazone–2 (1H indol 3 yl)acetohydrazide (1/1)
... Indole-3-acetylhydrazine (0.6 g, 4 mmol) and 2,4-dihydroxy- acetophenone (0.5 g, 4 mmol) were dissolved in ethanol (100 ml). The reactants were heated under reflux for 1 h. The solvent was removed to give ... See full document
9
Related subjects