Acta Cryst. (2009). E65, o2109  [ doi:10.1107/S1600536809030426 ]

4-(2-Hydroxyethyl)anilinium 3,5-dinitrobenzoate

G. Smith and U. D. Wermuth

Online 8 August 2009

Key indicators

• Single-crystal X-ray study
• T = 297 K
• Mean (C-C) = 0.002 Å
• R factor = 0.037
• wR factor = 0.099
• Data-to-parameter ratio = 12.6

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT230_ALERT_2_C Hirshfeld Test Diff for    O32    --  N3      ..       6.18 su   
PLAT369_ALERT_2_C Long   C(sp2)-C(sp2) Bond  C1     -   C11    ...       1.53 Ang. 
PLAT430_ALERT_2_C Short Inter D...A Contact  O32    ..  O32     ..       2.88 Ang. 

Alert level G
PLAT128_ALERT_4_G Non-standard setting of Space-group P21/c   ....      P21/n      

   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
   3 ALERT level C = Check and explain
   1 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
   0 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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