(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2006). E62, o2288-o2290 [ doi:10.1107/S1600536806016734 ]

Hydrochlorothiazide dimethyl sulfoxide solvate

A. Johnston, A. J. Florence and A. R. Kennedy

Online 12 May 2006

Key indicators

Single-crystal X-ray study
T = 123 K
Mean (C-C) = 0.003 Å
R factor = 0.040
wR factor = 0.110
Data-to-parameter ratio = 15.7

checkCIF/PLATON results

No syntax errors found




Alert level C
ABSTM02_ALERT_3_C  The ratio of Tmax/Tmin expected RT(exp) is > 1.10
            Absorption corrections should be applied.
            Tmin and Tmax expected:      0.828     0.933
            RT(exp) =      1.127
PLAT057_ALERT_3_C Correction for Absorption Required   RT(exp) ...       1.13       
PLAT244_ALERT_4_C Low   'Solvent' Ueq as Compared to Neighbors for         S3     

   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
   3 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
   0 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
   1 ALERT type 4 Improvement, methodology, query or suggestion