X-ray powder diffraction data for (S)-methyl-2-hexanamido-3-(4-hydroxyphenyl)propanoate, C16H23NO4

被引：0
作者：
Wang, Qing [1 ]
Chen, Xiaolin [1 ]
Suo, Zili [2 ]
机构：
[1] Yangzhou Univ, Sch Chem & Chem Engn, Yangzhou 225002, Jiangsu, Peoples R China
[2] Sichuan Univ, Sch Chem Engn, Chengdu 610065, Sichuan, Peoples R China
来源：
POWDER DIFFRACTION | 2018年 / 33卷 / 04期
关键词：
tyrosine derivative; X-ray powder diffraction; crystal structure; CRYSTAL-STRUCTURE; RELIABILITY; CRITERION; PATTERNS;
D O I：
10.1017/S088571561800074X
中图分类号：
TB3 [工程材料学];
学科分类号：
0805 ; 080502 ;
摘要：
X-ray powder diffraction data for (S)-methyl-2-hexanamido-3-(4-hydroxyphenyl)propanoate, C16H23NO4, are reported [a = 17.795(4) angstrom, b = 15.101(1) angstrom, c= 12.746(3) angstrom. unit-cell volume V= 3425.51 angstrom(3), Z = 8, and space group P2(1)2(1)2(1)]. All measured lines were indexed and are consistent with the P2(1)2(1)2(1) space group. No detectable impurities were observed. The single crystallographic data of the compound are also reported [a = 12.5998(3) angstrom, b= 17.6856(5) angstrom, c= 14.6711(5) angstrom, unit-cell volume V= 3269.25(16) angstrom(3), Z= 8, and space group P2(1)2(1)2(1)]. Because of the single-crystal diffraction data were measured at low temperature (110 K), the cell parameters, volume, and calculated density of single-crystal experiment have slight differences with powder diffraction results. (C) 2018 International Centre for Diffraction Data.
引用
收藏
页码：306 / 309
页数：4
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