STRUCTURE OF 4-PIPERIDONE DERIVATIVES .3. 1,3,3-TRIMETHYL-2,6-DIPHENYL-4-PIPERIDONE AND 2,6-BIS(P-CHLOROPHENYL)-1,3,5-TRIMETHYL-4-PIPERIDONE

被引:9
作者
SEKAR, K
PARTHASARATHY, S
RADHAKRISHNAN, TR
机构
[1] UNIV MADRAS,DEPT CRYSTALLOG & BIOPHYS,GUINDY CAMPUS,MADRAS 600025,TAMIL NADU,INDIA
[2] NEW COLL,POST GRAD DEPT CHEM,CENT COUNCIL RES UNANI MED,DRUG STANDARDISAT RES UNIT,MADRAS 600014,INDIA
关键词
D O I
10.1107/S0108270192004207
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
C20H23NO (I), M(r) = 293.4, triclinic, P1BAR, a = 6.486 (2), b = 10.921 (2), c = 12.542 (1) angstrom, alpha = 79.90 (1), beta = 88.87 (2), gamma = 73.50 (2)-degrees, V = 838.2 (3) angstrom3, Z = 2, D(x) = 1. 16 g cm -3, lambda(Cu Kalpha) = 1.5418 angstrom, mu = 5.15 cm -1, F(000) = 316, T = 295 K, R = 0.051, wR = 0.070 for 2641 unique observed reflections [I > 3sigma(I)]. C20H21Cl2NO (II), M(r) = 362.3, orthorhombic, Pnma, a = 7.420 (2), b = 23.118 (1), c = 10.624 (2) angstrom, V = 1822.4 (2) angstrom3 , Z = 4, D(x) 1.32 g cm-3, lambda(Cu Kalpha) = 1.5418 angstrom, mu = 32.95 cm-1, F(000) = 760, T = 295 K, R = 0.042, wR = 0.048 for 1221 unique observed reflections [I > 3sigma(I)]. The 4-piperidone ring has a slightly distorted chair conformation in both compounds and the mean torsion angles are 54.0 (2) and 52.7 (3)-degrees for (I) and (II), respectively. In (I) the puckering is enhanced in the area of N1 and in (II) it is enhanced in the area of C4. The phenyl rings are planar within six standard deviations and all molecular dimensions and van der Waals interactions are normal in both compounds.
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页码:93 / 95
页数:3
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