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

Published online by Cambridge University Press:  22 October 2018

Qing Wang Open the ORCID record for Qing Wang [Opens in a new window] ,
Xiaolin Chen  and
Zili Suo
Qing Wang*
Affiliation:
School of Chemistry and Chemical Engineering, Yangzhou University, Yangzhou 225002, China
Xiaolin Chen
Affiliation:
School of Chemistry and Chemical Engineering, Yangzhou University, Yangzhou 225002, China
Zili Suo
Affiliation:
School of Chemical Engineering, Sichuan University, Chengdu 610065, Sichuan, China
*
a)Author to whom correspondence should be addressed. Electronic mail: [email protected], [email protected].
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Abstract

X-ray powder diffraction data for (S)-methyl-2-hexanamido-3-(4-hydroxyphenyl)propanoate, C16H23NO4, are reported [a = 17.795(4) Å, b = 15.101(1) Å, c = 12.746(3) Å, unit-cell volume V = 3425.51 Å3, Z = 8, and space group P212121]. All measured lines were indexed and are consistent with the P212121 space group. No detectable impurities were observed. The single crystallographic data of the compound are also reported [a = 12.5998(3) Å, b = 17.6856(5) Å, c = 14.6711(5) Å, unit-cell volume V = 3269.25(16) Å3, Z = 8, and space group P212121]. 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.

Keywords

tyrosine derivativeX-ray powder diffractioncrystal structure
Type
New Diffraction Data
Information
Powder Diffraction , Volume 33 , Issue 4 , December 2018 , pp. 306 - 309
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Copyright
Copyright © International Centre for Diffraction Data 2018 

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