Crystal and molecular structure of 2-[(4-nitrophenyl)carbonyl]cyclohex-1-ene-1-yl 4-nitrobenzoate |
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| Authors: | I N Polyakova O A Egorova V S Sergienko L Yu Tarasova V V Davydov |
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| Institution: | 1.Kurnakov Institute of General and Inorganic Chemistry,Russian Academy of Sciences,Moscow,Russia;2.Peoples’ Friendship University of Russia,Moscow,Russia |
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| Abstract: | The crystal structure of 2-(4-nitrophenyl)carbonyl]cyclohex-1-ene-1-yl 4-nitrobenzoate is studied (T = 173 K, R1 = 0.0354 for 2713 observed reflections). This crystal is orthorhombic, a = 7.8367(8) Å, b = 9.6082(10) Å, c = 23.856(3) Å, V = 1796.3(3) Å3, space group P212121, and Z = 4. The molecule has a folded configuration, which is stabilized by π-π interactions between its two parts. A system of intermolecular C-H...O hydrogen bonds (H...O, 2.44–2.67 Å; CHO angles 122°–169°) and intramolecular C-H...O contacts closing five-membered cycles (H...O, 2.42–2.59 Å; CHO angles 96°–102°) are formed in the structure. |
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