(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2010). E66, o2101-o2102 [ doi:10.1107/S1600536810028783 ]

Monoclinic form I of clopidogrel hydrogen sulfate from powder diffraction data

V. V. Chernyshev, S. V. Pirogov, I. N. Shishkina and Y. A. Velikodny

Online 24 July 2010

Key indicators

Powder X-ray study
T = 295 K
Mean (C-C) = 0.020 Å
R factor = 0.000
wR factor = 0.000
Data-to-parameter ratio = 0.0

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT340_ALERT_3_B Low Bond Precision on  C-C Bonds (x 1000) Ang ..         20      

Alert level C
PLAT042_ALERT_1_C Calc. and Reported MoietyFormula Strings  Differ          ?
PLAT125_ALERT_4_C No _symmetry_space_group_name_Hall Given .......          ?
PLAT244_ALERT_4_C Low   'Solvent' Ueq as Compared to Neighbors of         S2A     
PLAT244_ALERT_4_C Low   'Solvent' Ueq as Compared to Neighbors of         S2B     

Alert level G
PLAT431_ALERT_2_G Short Inter HL..A Contact  Cl1A   ..  Cl1B    ..       3.31 Ang. 
PLAT432_ALERT_2_G Short Inter X...Y Contact  O1B    ..  C3A     ..       3.02 Ang. 
PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints .......        155      
PLAT720_ALERT_4_G Number of Unusual/Non-Standard Labels ..........         12      
PLAT791_ALERT_4_G Note: The Model has Chirality at N5A    (Verify)          R      
PLAT791_ALERT_4_G Note: The Model has Chirality at N5B    (Verify)          R      
PLAT791_ALERT_4_G Note: The Model has Chirality at C8A    (Verify)          S      
PLAT791_ALERT_4_G Note: The Model has Chirality at C8B    (Verify)          S      
PLAT808_ALERT_5_G No Parseable SHELXL Style Weighting Scheme Found          !

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

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