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

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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
其他题名	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
	Yang XiuYan 1; Zhao GuoMing 2; Yang ShiYing 3; Li Song 2
	2013
发表期刊	CHINESE JOURNAL OF STRUCTURAL CHEMISTRY
ISSN	0254-5861
卷号	32 期号:7 页码:989-992
摘要	The 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.
其他摘要	The 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.
关键词	INHIBITION HAPs crystal structure synthesis
收录类别	CSCD
语种	英语
资助项目	[National Natural Science Foundation of China]
CSCD记录号	CSCD:4895382
引用统计
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/151535
专题	中国科学院金属研究所
作者单位	1.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
推荐引用方式 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.