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• W2949644182 abstract "Abstract Pentanedinitrile (NC-CH 2 -CH 2 -CH 2 -CN) has been studied by gas-phase electron diffraction (ED) at 448 K. At this temperature the molecules exist as a mixture of about equal parts [ X =0.5(0.2)] of the two conformers AG (having one CN group anti and the other gauche to the central CCC skeleton) and GG (having both CN groups gauche to the CCC skeleton). Assuming that the two conformers differ in their geometries only in their torsion angels o 2–3 and o 3–4 , some of the important distance ( r a ) and angle ∠ α parameters are: r (CC) = 1.544(5), r (CC) = 1.463(4), r (CN) = 1.161(3), r (CH) = 1.105(9) A, ∠ CCC = 110.5(1.1)° and ∠CCC=111.2 (0.5)°. The torsion angles, relative to o 2–3 =o 3–4 =0° for the AA form, are o 2–3 =0° and o 3–4 =114(6)° for AG , while for GG both torsion angles are equal to 114(6)°. Uncertainties are given as 2σ, where σ includes uncertainty due to correlation among observations and parameters used in the data reduction. A small amount of a third conformer AA , which cannot be ruled out conclusively from the ED data, was not detected in the analysis." @default.
• W2949644182 created "2019-06-27" @default.
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• W2949644182 date "1990-02-13" @default.
• W2949644182 modified "2023-09-25" @default.
• W2949644182 title "ChemInform Abstract: Conformation and Molecular Structure of Pentanedinitrile (1,3-Dicyanopropane) Using Gas-Phase Electron Diffraction." @default.
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• W2949644182 doi "https://doi.org/10.1002/chin.199007074" @default.
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