Recommanded Product: 100-19-6. Authors Zaini, MF; Razak, IA; Khairul, WM; Arshad, S in INT UNION CRYSTALLOGRAPHY published article about in [Zaini, Muhamad Fikri; Razak, Ibrahim Abdul; Arshad, Suhana] Univ Sains Malaysia, Sch Phys, Xray Crystallog Unit, Usm 11800, Penang, Malaysia; [Khairul, Wan Mohd] Univ Malaysia Terengganu, Sch Fundamental Sci, Terengganu 21030, Malaysia in 2020.0, Cited 23.0. The Name is 1-(4-Nitrophenyl)ethanone. Through research, I have a further understanding and discovery of 100-19-6
A new conjugated carbazole chalcone compound, (E)-3[4-(9,9a-dihydro-8aH-carbazol-9-yl)phenyl]-1-(4-nitrophenyl)prop-2-en-1-one (CPNC), C27H18N2O3, was synthesized using a Claisen Schmidt condensation reaction. CPNC crystallizes in the monoclinic non-centrosymmetric space group Cc and adopts an s-cis conformation with respect to the ethylenic double bonds (C=O and C=C). The crystal packing features C-H center dot center dot center dot O and C-H center dot center dot center dot pi interactions whose percentage contribution was quantified by Hirshfeld surface analysis. Quantum chemistry calculations including geometrical optimization and molecular electrostatic potential (MEP) were analysed by density functional theory (DFT) with a B3LYP/6-311 G++(d,p) basis set.
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Reference:
Benzodioxan,
,1,4-Benzodioxane | C8H8O2 – PubChem