Synthesis and characterization of 9-(4-nitrophenyl)3,3,6,6-tetramethyl-3,4,6,7,9,10-hexahydro-1,8(2H,5H) acridinedione and its methoxyphenyl derivative |
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| Authors: | K?Palani D?Thirumalai P?Ambalavanan Email author" target="_blank">M?N?PonnuswamyEmail author V?T?Ramakrishnan |
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| Institution: | (1) Department of Crystallography and Biophysics, University of Madras, Guindy Campus, Chennai, 600025, India;(2) Department of Organic Chemistry, University of Madras, Guindy Campus, Chennai, 600025, India |
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| Abstract: | 9-(4-Nitrophenyl)-3,3,6,6-tetramethyl-3,4,6,7,9,10-hexahydro-1,8(2H,5H) acridinedione (NTHA) crystallizes in orthorhombic space group P212121 with a = 5.9716(1) Å, b = 18.0476(3) Å, c = 19.2445(2) Å, V = 2074.04(5) Å3, Z = 4, Dcal = 1.263 Mg m?3 and R = 0.0521 (wR = 0.1326) for 4078 observed reflections. 9-(4-Nitrophenyl)-10-(4-methoxyphenyl)-3,3,6,6-tetramethyl-3,4,6,7,9,10-hexahydro-1,8(2H,5H) acridinedione NMTHA, crystallizes in monoclinic space group P21/c with a = 15.669(5) Å, b = 10.652(4) Å, c = 18.337(6) Å, β = 108.25(1)°, V = 2906.66(2) Å3, Z = 4, Dcal = 1.245 Mg m?3 and R = 0.0725 (wR = 0.1847) for 5105 observed reflections. The experimental values are compared with the theoretical values calculated based on the semiemperical methods. The structures are stabilized by N–H?sO and C–H?sO types of intermolecular interactions in addition to van der Waals forces. |
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| Keywords: | Crystal structure conformation semiempirical hydrogen bondings acridinediones |
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