Acta Cryst. (2008). E64, o1620  [ doi:10.1107/S1600536808023313 ]

2-Cyanoanilinium nitrate

L.-J. Cui and X.-C. Wen

Online 31 July 2008

Key indicators

• Single-crystal X-ray study
• T = 298 K
• Mean (C-C) = 0.006 Å
• R factor = 0.063
• wR factor = 0.167
• Data-to-parameter ratio = 12.9

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for         C3     
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for         C4     
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for         C2     
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for         N3     
PLAT340_ALERT_3_C Low Bond Precision on C-C Bonds (x 1000) Ang ...          6      
PLAT371_ALERT_2_C Long   C(sp2)-C(sp1) Bond  C1     -   C2     ...       1.43 Ang. 
PLAT380_ALERT_4_C Check Incorrectly? Oriented X(sp2)-Methyl Moiety         N1     
PLAT480_ALERT_4_C Long H...A H-Bond Reported H1A    ..  O2      ..       2.61 Ang. 

   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
   8 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
   5 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
   0 ALERT type 5 Informative message, check

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