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

被引：0
|
作者：
K. Palani
D. Thirumalai
P. Ambalavanan
M. N. Ponnuswamy
V. T. Ramakrishnan
机构：
[1] University of Madras,Department of Crystallography and Biophysics
[2] University of Madras,Department of Organic Chemistry
来源：
Journal of Chemical Crystallography | 2005年 / 35卷
关键词：
Crystal structure; conformation; semiempirical; hydrogen bondings; acridinediones;
D O I：
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中图分类号：
学科分类号：
摘要：
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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页码：751 / 760
页数：9
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