Acta Cryst. (2004). E60, o294-o296  [ doi:10.1107/S1600536804001606 ]

5-Benzyl-7,9-dimethoxy-3-phenyl-5H-pyrazolo[4,3-c]quinolin-1-ium chloride acetic acid solvate

V. N. Baumer, O. V. Silin, T. I. Savchenko, V. M. Nikitchenko and S. M. Kovalenko

Online 30 January 2004

Key indicators

• Single-crystal X-ray study
• T = 293 K
• Mean (C-C) = 0.003 Å
• R factor = 0.046
• wR factor = 0.083
• Data-to-parameter ratio = 14.1

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT230_ALERT_2_B Hirshfeld Test Diff for    O1     -   C27      =       9.02 su    
PLAT230_ALERT_2_B Hirshfeld Test Diff for    C4     -   C5       =       7.19 su    
PLAT230_ALERT_2_B Hirshfeld Test Diff for    C4     -   C13      =       7.30 su    
PLAT230_ALERT_2_B Hirshfeld Test Diff for    C21    -   C26      =       8.15 su    

Alert level C
PLAT026_ALERT_3_C Ratio Observed / Unique Reflections too Low ....         46 Perc. 
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT220_ALERT_2_C Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       2.57 Ratio 
PLAT230_ALERT_2_C Hirshfeld Test Diff for    C8     -   C9       =       6.78 su    
PLAT230_ALERT_2_C Hirshfeld Test Diff for    C9     -   C10      =       6.44 su    
PLAT230_ALERT_2_C Hirshfeld Test Diff for    C15    -   C16      =       6.62 su    
PLAT244_ALERT_4_C Low Solvent  U(eq) as Compared to Neighbors ....        C30     

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

   1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   8 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
   1 ALERT type 4 Improvement, methodology, query or suggestion

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