[Open access]

[Contents scheme]

Acta Cryst. (2012). E68, o3295
[ doi:10.1107/S160053681204500X ]

N-(1,3-Thiazol-2-yl)-N'-[(thiophen-2-yl)carbonyl]thiourea hemihydrate

D. P. Singh, S. Pratap, S. Ö. Yildirim and R. J. Butcher


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level B PLAT934_ALERT_3_B Number of (Iobs-Icalc)/SigmaW .gt. 10 Outliers . 2
Alert level C PLAT041_ALERT_1_C Calc. and Reported SumFormula Strings Differ ? PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd. # 1 C9 H7 N3 O S3 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.600 10 PLAT913_ALERT_3_C Missing # of Very Strong Reflections in FCF .... 3
Alert level G PLAT002_ALERT_2_G Number of Distance or Angle Restraints on AtSite 3 PLAT005_ALERT_5_G No _iucr_refine_instructions_details in CIF ... ? PLAT007_ALERT_5_G Note: Number of Unrefined D-H Atoms ............ 4 PLAT042_ALERT_1_G Calc. and Reported MoietyFormula Strings Differ ? PLAT045_ALERT_1_G Calculated and Reported Z Differ by ............ 0.50 Ratio PLAT720_ALERT_4_G Number of Unusual/Non-Standard Labels .......... 4 PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 3 PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 170
0 ALERT level A = Most likely a serious problem - resolve or explain 1 ALERT level B = A potentially serious problem, consider carefully 4 ALERT level C = Check. Ensure it is not caused by an omission or oversight 8 ALERT level G = General information/check it is not something unexpected 3 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 4 ALERT type 3 Indicator that the structure quality may be low 3 ALERT type 4 Improvement, methodology, query or suggestion 2 ALERT type 5 Informative message, check

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