Acta Cryst. (2001). E57, o362-o363  [ doi:10.1107/S1600536801004846 ]

Methyl (3-hydroxy-4-oxo-2-phenyl-1,5-benzothiazepin-5-yl)acetate

A. Zerzouf, H. El Meslouhi, M. Salem, E. M. Essassi and M. Pierrot

Key indicators

• Single-crystal X-ray study
• T = 298 K
• Mean (C-C) = 0.001 Å
• R factor = 0.045
• wR factor = 0.048
• Data-to-parameter ratio = 11.8

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry


 Alert Level C:



PLAT_731  Alert C Bond    Calc   1.4185(9), Rep   1.4184(4) ....       2.25 s.u-Ratio
                     O18  -C3      1.555   1.555

PLAT_731  Alert C Bond    Calc  1.4482(17), Rep   1.4482(5) ....       3.40 s.u-Ratio
                     O23  -C24     1.555   1.555

PLAT_731  Alert C Bond    Calc  1.5449(14), Rep   1.5450(5) ....       2.80 s.u-Ratio
                     C2   -C3      1.555   1.555

PLAT_731  Alert C Bond    Calc  1.3928(14), Rep   1.3929(5) ....       2.80 s.u-Ratio
                     C6   -C11     1.555   1.555

PLAT_731  Alert C Bond    Calc    1.381(2), Rep   1.3809(7) ....       2.86 s.u-Ratio
                     C8   -C9      1.555   1.555

PLAT_731  Alert C Bond    Calc  1.5122(15), Rep   1.5121(6) ....       2.50 s.u-Ratio
                     C20  -C21     1.555   1.555

PLAT_732  Alert C Angle   Calc   112.89(8), Rep   112.89(3) ....       2.67 s.u-Ratio
                     C3   -C2   -C12     1.555   1.555   1.555

PLAT_732  Alert C Angle   Calc   107.81(7), Rep   107.82(3) ....       2.33 s.u-Ratio
                     O18  -C3   -C4      1.555   1.555   1.555

PLAT_732  Alert C Angle   Calc   119.01(9), Rep   119.01(4) ....       2.25 s.u-Ratio
                     N5   -C6   -C7      1.555   1.555   1.555

PLAT_732  Alert C Angle   Calc  120.15(10), Rep   120.15(4) ....       2.50 s.u-Ratio
                     C6   -C7   -C8      1.555   1.555   1.555

PLAT_732  Alert C Angle   Calc  120.35(10), Rep   120.35(4) ....       2.50 s.u-Ratio
                     C8   -C9   -C10     1.555   1.555   1.555

PLAT_732  Alert C Angle   Calc  120.56(11), Rep   120.56(4) ....       2.75 s.u-Ratio
                     C9   -C10  -C11     1.555   1.555   1.555

PLAT_732  Alert C Angle   Calc   118.48(8), Rep   118.47(3) ....       2.67 s.u-Ratio
                     S1   -C11  -C10     1.555   1.555   1.555

PLAT_732  Alert C Angle   Calc  125.12(10), Rep   125.12(4) ....       2.50 s.u-Ratio
                     O22  -C21  -O23     1.555   1.555   1.555


 0 Alert Level A = Potentially serious problem

 0 Alert Level B = Potential problem

 14 Alert Level C = Please check

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