Acta Cryst. (2008). E64, o1501-o1502  [ doi:10.1107/S1600536808021314 ]

Ethyl 3-nitro-4-(propylamino)benzoate

S. M. Mohd. Maidin, A. S. Abdul Rahim, S. Abdul Hamid, R. Kia and H.-K. Fun

Online 16 July 2008

Key indicators

• Single-crystal X-ray study
• T = 100 K
• Mean (C-C) = 0.005 Å
• R factor = 0.076
• wR factor = 0.252
• Data-to-parameter ratio = 14.0

checkCIF/PLATON results

No syntax errors found




Alert level C
RFACR01_ALERT_3_C  The value of the weighted R factor is > 0.25
            Weighted R factor given   0.252
PLAT340_ALERT_3_C Low Bond Precision on C-C Bonds (x 1000) Ang ...          5      
PLAT066_ALERT_1_C Predicted and Reported Transmissions Identical .          ?
PLAT152_ALERT_1_C Supplied and Calc Volume s.u. Inconsistent .....          ?
PLAT154_ALERT_1_C The su's on the Cell Angles are Equal  (x 10000)        400 Deg. 
PLAT720_ALERT_4_C Number of Unusual/Non-Standard Labels ..........          1      

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

   3 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   0 ALERT type 2 Indicator that the structure model may be wrong or deficient
   2 ALERT type 3 Indicator that the structure quality may be low
   1 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check

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