(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2004). E60, o1586-o1588 [ doi:10.1107/S1600536804020379 ]

N-{3-Isopropoxy-4-methoxy-2-[(E)-1-propenyl]benzyl}(phenyl)methanesulfonamide

W. A. L. van Otterlo, J.-L. Panayides and M. A. Fernandes

Online 21 August 2004

Key indicators

Single-crystal X-ray study
T = 173 K
Mean (C-C) = 0.003 Å
R factor = 0.048
wR factor = 0.135
Data-to-parameter ratio = 18.0

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT220_ALERT_2_B Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       4.33 Ratio 
PLAT222_ALERT_3_B Large Non-Solvent    H     Ueq(max)/Ueq(min) ...       4.74 Ratio 

Alert level C
PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density ....       2.37       
PLAT242_ALERT_2_C Check Low    U(eq) as Compared to Neighbors  for        C11     
PLAT480_ALERT_4_C Long H...A H-Bond Reported H15A   ..  O3      ..       2.61 Ang.  
PLAT480_ALERT_4_C Long H...A H-Bond Reported H21    ..  O4      ..       2.72 Ang.  

   0 ALERT level A = In general: serious problem
   2 ALERT level B = Potentially serious problem
   4 ALERT level C = Check and explain
   0 ALERT level G = General alerts; check

   0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   3 ALERT type 2 Indicator that the structure model may be wrong or deficient
   1 ALERT type 3 Indicator that the structure quality may be low
   2 ALERT type 4 Improvement, methodology, query or suggestion