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Synthesis and Crystal Structure of (R)-1-acetyl-6-(2-chloro-4-fluorophenyl)-4-methyl-N-((R)-1-phenylethyl)-2-(2,4,6-trifluorophenyl)-1,6-dihydropyrimidine-5-carboxamide
Alternative TitleSynthesis and Crystal Structure of (R)-1-acetyl-6-(2-chloro-4-fluorophenyl)-4-methyl-N-((R)-1-phenylethyl)-2-(2,4,6-trifluorophenyl)-1,6-dihydropyrimidine-5-carboxamide
Yang XiuYan1; Zhao GuoMing2; Yang ShiYing3; Li Song2
2013
Source PublicationCHINESE JOURNAL OF STRUCTURAL CHEMISTRY
ISSN0254-5861
Volume32Issue:7Pages:989-992
AbstractThe crystal structure of the title compound (C28H22ClF4N3O2, M-r = 543.14) was determined by single-crystal X-ray diffraction. The crystal belongs to the monoclinic system, space group P2(1) with a = 12.2113(11), b = 9.4956(9), c = 25.484(2) angstrom, beta = 98.486(1)degrees, V= 2922.6(5) angstrom, Z = 2, D-c = 1.302 Mg/m(3), F(000) = 1184, mu = 0.19 mm(-1), R = 0.068 and wR = 0.186. The asymmetric unit of the title compound contains two organic molecules and two solvent acetone molecules with 50% occupancy each. In each organic molecule, the dihydropyridine ring adopts a half boat conformation. In the crystal, the molecules are linked by N-H center dot center dot center dot O hydrogen bonds.
Other AbstractThe crystal structure of the title compound (C_(28)H_(22)ClF_4N_3O_2, Mr = 543.14) was determined by single-crystal X-ray diffraction. The crystal belongs to the monoclinic system, space group P2_1 with a = 12.2113(11), b = 9.4956(9), c = 25.484(2) A, β = 98.486(1)°, V = 2922.6(5) A, Z = 2, D_c = 1.302 Mg/m~3, F(000) = 1184, μ = 0.19 mm~(-1), R = 0.068 and wR = 0.186. The asymmetric unit of the title compound contains two organic molecules and two solvent acetone molecules with 50% occupancy each. In each organic molecule, the dihydropyridine ring adopts a half boat conformation. In the crystal, the molecules are linked by N–H···O hydrogen bonds.
KeywordINHIBITION HAPs crystal structure synthesis
Indexed ByCSCD
Language英语
Funding Project[National Natural Science Foundation of China]
CSCD IDCSCD:4895382
Citation statistics
Document Type期刊论文
Identifierhttp://ir.imr.ac.cn/handle/321006/151535
Collection中国科学院金属研究所
Affiliation1.中国科学院金属研究所
2.Acad Mil Med Sci, Institute Pharmacol & Toxicol, Beijing 100850, Peoples R China
3.Chinese Acad Med Sci, Institute Mat Med, Beijing 100050, Peoples R China Institute Mat Med
4.Coll Med, Beijing 100050, Peoples R China
Recommended Citation
GB/T 7714
Yang XiuYan,Zhao GuoMing,Yang ShiYing,et al. Synthesis and Crystal Structure of (R)-1-acetyl-6-(2-chloro-4-fluorophenyl)-4-methyl-N-((R)-1-phenylethyl)-2-(2,4,6-trifluorophenyl)-1,6-dihydropyrimidine-5-carboxamide[J]. CHINESE JOURNAL OF STRUCTURAL CHEMISTRY,2013,32(7):989-992.
APA Yang XiuYan,Zhao GuoMing,Yang ShiYing,&Li Song.(2013).Synthesis and Crystal Structure of (R)-1-acetyl-6-(2-chloro-4-fluorophenyl)-4-methyl-N-((R)-1-phenylethyl)-2-(2,4,6-trifluorophenyl)-1,6-dihydropyrimidine-5-carboxamide.CHINESE JOURNAL OF STRUCTURAL CHEMISTRY,32(7),989-992.
MLA Yang XiuYan,et al."Synthesis and Crystal Structure of (R)-1-acetyl-6-(2-chloro-4-fluorophenyl)-4-methyl-N-((R)-1-phenylethyl)-2-(2,4,6-trifluorophenyl)-1,6-dihydropyrimidine-5-carboxamide".CHINESE JOURNAL OF STRUCTURAL CHEMISTRY 32.7(2013):989-992.
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