Acta Cryst. (2007). E63, o3831  [ doi:10.1107/S1600536807039724 ]

2-Fluoro-3,5-dinitrobenzoic acid-ammonia (1/1)

H. Zhong, X.-M. Yang, H.-L. Xie and C.-J. Luo

Key indicators

• Single-crystal X-ray study
• T = 273 K
• Mean (C-C) = 0.004 Å
• R factor = 0.049
• wR factor = 0.171
• Data-to-parameter ratio = 11.0

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT230_ALERT_2_B Hirshfeld Test Diff for    F1     -   C2      ..      14.44 su   
PLAT417_ALERT_2_B Short Inter D-H..H-D       H1     ..  H3C     ..       1.62 Ang. 
PLAT430_ALERT_2_B Short Inter D...A Contact  O2     ..  O2      ..       2.57 Ang. 

Alert level C
PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low .......       0.98      
PLAT066_ALERT_1_C Predicted and Reported Transmissions Identical .          ?
PLAT152_ALERT_1_C Supplied and Calc Volume s.u. Inconsistent .....          ?
PLAT230_ALERT_2_C Hirshfeld Test Diff for    O2     -   C7      ..       6.13 su   
PLAT352_ALERT_3_C Short   N-H Bond (0.87A)   N3     -   H3A    ...       0.74 Ang. 
PLAT430_ALERT_2_C Short Inter D...A Contact  O5     ..  N2      ..       2.88 Ang. 
PLAT431_ALERT_2_C Short Inter HL..A Contact  F1     ..  O2      ..       2.85 Ang. 

Alert level G
PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints .......          6      

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

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

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