Crystal and molecular structure of the chiral compound 4–(2–methylbutyloxy)phenyl–4–(2‐propenyloxy)‐benzoate, C21H24O4
作者:
A. Kaeding,
P. Zugenmaier,
期刊:
Crystal Research and Technology
(WILEY Available online 1995)
卷期:
Volume 30,
issue 1
页码: 101-107
ISSN:0232-1300
年代: 1995
DOI:10.1002/crat.2170300116
出版商: WILEY‐VCH Verlag
数据来源: WILEY
摘要:
AbstractThe enantiomeric [(S)‐(–)‐MBP3B] and the racemic form [(±)‐MBP3B]of the title compound with the formula C3H5O–C6H4–CO2–C6H4–OC5H11were studied by single crystal analysis at room temperature.(S)‐(–)‐MBP3B crystallizes in the orthorhombic space group P212121witha= 7.835(3) Å,b= 11.093(6) Å,c= 44.820(3) Å and 8 molecules per unit cell. The structure was determined from 966 reflections with intensities>3σ. The refinement with isotropic temperature factors leads toR= 0.094.The crystals of the racemic form are monoclinic, space group P21/a witha= 7.899(5) Å,b= 11.046(6) Å,c= 22.845(12) Å, β = 99.28(3)°,Z= 4.1236 diffractometer data (I>3σ) were refined by least‐squares methods with anisotropic temperature factors for the non‐H atoms toR= 0.070.The packing arrangement for both forms shows a layer‐like structure with very similar packing coefficients,k= 0.7085 for the pure enanti
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