Acta Cryst. (2005). E61, o746-o748  [ doi:10.1107/S160053680500499X ]

Cytosinium 3,5-dinitrosalicylate

G. Smith, U. D. Wermuth and P. C. Healy

Online 26 February 2005

Key indicators

• Single-crystal X-ray study
• T = 298 K
• Mean (C-C) = 0.004 Å
• R factor = 0.044
• wR factor = 0.160
• Data-to-parameter ratio = 13.1

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT430_ALERT_2_B Short Inter D...A Contact  O32    ..  O32     ..       2.78 Ang.  

Alert level C
PLAT430_ALERT_2_C Short Inter D...A Contact  O32    ..  N3      ..       2.88 Ang.  
PLAT432_ALERT_2_C Short Inter X...Y Contact  O21    ..  C21     ..       2.97 Ang.  

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

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