Acta Cryst. (2004). E60, o1736-o1738  [ doi:10.1107/S160053680402197X ]

3-(3-Hydroxypropyl)-6-(p-tolyl)-7H-1,2,4-triazolo[3,4-b][1,3,4]thiadiazine dihydrate

K.-H. Zou, X.-Q. Cai, J.-X. Chen, L.-X. Zhang, A.-J. Zhang and M.-L. Hu

Online 11 September 2004

Key indicators

• Single-crystal X-ray study
• T = 298 K
• Mean (C-C) = 0.005 Å
• R factor = 0.072
• wR factor = 0.157
• Data-to-parameter ratio = 13.7

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT340_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ...          5       
PLAT417_ALERT_2_C Short Inter D-H..H-D       H1     ..  H3B     ..       2.11 Ang.  

   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

   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
   1 ALERT type 3 Indicator that the structure quality may be low
   0 ALERT type 4 Improvement, methodology, query or suggestion

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