Acta Cryst. (2007). E63, o1432-o1434  [ doi:10.1107/S1600536807008306 ]

Promazinium picrate

H. S. Yathirajan, M. A. Ashok, B. Narayana Achar and M. Bolte

Online 23 February 2007

Key indicators

• Single-crystal X-ray study
• T = 173 K
• Mean (C-C) = 0.002 Å
• Disorder in main residue
• R factor = 0.046
• wR factor = 0.128
• Data-to-parameter ratio = 15.7

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT430_ALERT_2_B Short Inter D...A Contact  O323   ..  O323    ..       2.84 Ang. 

Alert level C
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        N36     
PLAT250_ALERT_2_C Large U3/U1 Ratio for Average U(i,j) Tensor ....       2.07      
PLAT301_ALERT_3_C Main Residue  Disorder .........................       5.00 Perc.
PLAT432_ALERT_2_C Short Inter X...Y Contact  O362   ..  C5      ..       3.01 Ang. 

   0 ALERT level A = In general: serious problem
   1 ALERT level B = Potentially serious problem
   4 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
   4 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
   0 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check

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