Acta Cryst. (2007). E63, o1839-o1841  [ doi:10.1107/S1600536807011129 ]

3-Hydroxy-2-methylisothiazolium chloride monohydrate: an intermolecular three-dimensional network via O-HO and O-HCl hydrogen bonds

M. Kato, T. Fujihara, D. Yano and A. Nagasawa

Online 21 March 2007

Key indicators

• Single-crystal X-ray study
• T = 173 K
• Mean (C-C) = 0.003 Å
• R factor = 0.040
• wR factor = 0.098
• Data-to-parameter ratio = 18.3

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT431_ALERT_2_B Short Inter HL..A Contact  Cl1    ..  S1      ..       3.11 Ang. 

Alert level C
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?

   0 ALERT level A = In general: serious problem
   1 ALERT level B = Potentially serious problem
   1 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
   1 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
   0 ALERT type 5 Informative message, check

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