[Open access]

[Contents scheme]

Acta Cryst. (2013). E69, o350
[ doi:10.1107/S160053681300216X ]

2-(4-Oxo-3-phenyl-1,3-thiazolidin-2-ylidene)malononitrile

O. K. Sakka, D. H. Fleita and W. T. A. Harrison


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level C STRVA01_ALERT_4_C Flack test results are ambiguous. From the CIF: _refine_ls_abs_structure_Flack 0.370 From the CIF: _refine_ls_abs_structure_Flack_su 0.010 PLAT230_ALERT_2_C Hirshfeld Test Diff for C4 -- C5 .. 5.7 su PLAT340_ALERT_3_C Low Bond Precision on C-C Bonds ............... 0.0050 Ang PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 2 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.600 6 PLAT913_ALERT_3_C Missing # of Very Strong Reflections in FCF .... 2 PLAT915_ALERT_3_C Low Friedel Pair Coverage ...................... 66 Perc.
Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? PLAT371_ALERT_2_G Long C(sp2)-C(sp1) Bond C4 - C5 ... 1.44 Ang. PLAT371_ALERT_2_G Long C(sp2)-C(sp1) Bond C4 - C6 ... 1.43 Ang. PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 12
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 7 ALERT level C = Check. Ensure it is not caused by an omission or oversight 4 ALERT level G = General information/check it is not something unexpected 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 3 ALERT type 2 Indicator that the structure model may be wrong or deficient 5 ALERT type 3 Indicator that the structure quality may be low 2 ALERT type 4 Improvement, methodology, query or suggestion 1 ALERT type 5 Informative message, check

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