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The title compound 12-(2,4-dichlorophenyl)-7,8,9,10,11,12-hexahydrobenzo-[f]pyrimido[4,5-b]quinoline-9,11-dione DMF solvate 1(C24H20Cl2N4O3,Mr=483.34) was synthesized and crystallized.The crystal belongs to the monoclinic system,space group P21/n with a=6.4798(16),b=20.595(5),c=16.723(4),β=95.267(7)o,Z=4,V=2222.3(9)3,Dc=1.445 g/cm3,μ(MoKα)=0.328 mm-1,F(000)=1000,the final R=0.0530 and wR=0.1388 for 3484 observed reflections(I>2σ(I)).X-ray analysis reveals that the central 1,4-dihydropyridine ring is slightly distorted,adopting a half-chair conformation,which is obviously different from the boat conformations of other similar compounds.In addition,the classical hydrogen bonds of N(2)-H(2A)…O(2) are presented in the crystals,and link the adjacent molecules to form dimmers.Atom O(3) in the DMF solvent forms two hydrogen bonds of O(3)…H(1H)-N(1) and O(3)…H(3H)-N(3) with a pyrimidoquinoline moiety,forming an interesting half-chair-like conformation.The hydrogen bonds link the molecules to form dimmers,while intermolecular π-π interaction connects the above-mentioned dimmers to yield a one-dimensional structure.
The title compound 12- (2,4-dichlorophenyl) -7,8,9,10,11,12-hexahydrobenzo- [f] pyrimido [4,5-b] quinoline-9,11-dione DMF solvate 1 (C24H20Cl2N4O3 , Mr = 483.34) was synthesized and crystallized.The crystal belongs to the monoclinic system, space group P21 / n with a = 6.4798 (16), b = 20.595 (5), c = 16.723 The final R = 0.0530 and wR = 0.1388, F (000) = 1000, Z = 4, V = 2222.3 (9) 3, Dc = 1.445 g / cm3, μ (MoKα) = 0.328 mm-1, for 3484 observed reflections (I> 2σ (I)). X-ray analysis reveals that the central 1,4-dihydropyridine ring is slightly distorted, adopting a half-chair conformation, which is obviously different from the boat conformations of other similar compounds .In addition, the classical hydrogen bonds of N (2) -H (2A) ... O (2) are presented in the crystals, and link the adjacent molecules to form dimmers. Atom O bonds of O (3) ... H (1H) -N (1) and O (3) ... H (3H) -N (3) with a pyrimidoquinoline moiety, forming an interesting half-chair- like conformation.The hydrogen bonds link th e molecules to form dimmers, while intermolecular π-π interaction connects the above-mentioned dimmers to yield a one-dimensional structure.