Acta Cryst. (2004). E60, o1394-o1396  [ doi:10.1107/S1600536804017817 ]

2-(3-Carboxymethyl-4-nitrophenyl)propionic acid

L.-H. Huo, S. Gao, H. Zhao, S. M. Zain and S. W. Ng

Online 24 July 2004

Key indicators

• Single-crystal X-ray study
• T = 298 K
• R factor = 0.067
• wR factor = 0.195
• Data-to-parameter ratio = 14.2

checkCIF/PLATON results

No syntax errors found




Alert level B
ABSTM02_ALERT_3_B  The ratio of expected to reported Tmax/Tmin(RR') is < 0.75
            Tmin and Tmax reported:      0.695     0.971
            Tmin' and Tmax expected:      0.951     0.971
            RR' =      0.731
            Please check that your absorption correction is appropriate.
PLAT061_ALERT_3_B Tmax/Tmin Range Test RR' too Large .............       0.73       

Alert level C
PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density ....       2.76       
PLAT220_ALERT_2_C Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       3.11 Ratio 
PLAT222_ALERT_3_C Large Non-Solvent    H     Ueq(max)/Ueq(min) ...       3.49 Ratio 
PLAT242_ALERT_2_C Check Low    U(eq) as Compared to Neighbors  for         C1     
PLAT340_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ...          5       

   0 ALERT level A = In general: serious problem
   2 ALERT level B = Potentially serious problem
   5 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
   4 ALERT type 3 Indicator that the structure quality may be low
   0 ALERT type 4 Improvement, methodology, query or suggestion

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