Acta Cryst. (2003). E59, o561-o563  [ doi:10.1107/S1600536803006585 ]

1-Ethynyl-2-isopropoxy-3-methoxybenzene

C. M. Williams, L. N. Mander and P. V. Bernhardt

Online 31 March 2003

Key indicators

• Single-crystal X-ray study
• T = 150 K
• Mean (C-C) = 0.002 Å
• R factor = 0.039
• wR factor = 0.112
• Data-to-parameter ratio = 14.1

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry


 Alert Level C:



PLAT_371  Alert C Long   C(sp2)-C(sp1) Bond  C(1)   -   C(7)   =       1.44 Ang.

PLAT_710  Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle #     15
                   C2  -C1  -C7  -C8   -164.00  3.00   1.555   1.555   1.555   1.555

PLAT_710  Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle #     16
                   C6  -C1  -C7  -C8     16.00  4.00   1.555   1.555   1.555   1.555


 0 Alert Level A = Potentially serious problem

 0 Alert Level B = Potential problem

 3 Alert Level C = Please check

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