[Open access]

[Contents scheme]

Acta Cryst. (2012). E68, o3139
[ doi:10.1107/S1600536812042559 ]

5-[(Z)-2,3-Dimethoxybenzylidene]-1,2,4-triazolo[3,2-b][1,3]thiazol-6(5H)-one

L. Guo, G.-T. Lin, J. Wang, L. Ni and R.-S. Ge


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level C PLAT125_ALERT_4_C No '_symmetry_space_group_name_Hall' Given ..... ? PLAT340_ALERT_3_C Low Bond Precision on C-C Bonds ............... 0.0042 Ang PLAT480_ALERT_4_C Long H...A H-Bond Reported H1 .. N3 .. 2.65 Ang. PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 1 PLAT915_ALERT_3_C Low Friedel Pair Coverage ...................... 63 Perc.
Alert level G REFLT03_ALERT_4_G Please check that the estimate of the number of Friedel pairs is correct. If it is not, please give the correct count in the _publ_section_exptl_refinement section of the submitted CIF. From the CIF: _diffrn_reflns_theta_max 26.00 From the CIF: _reflns_number_total 2096 Count of symmetry unique reflns 1374 Completeness (_total/calc) 152.55% TEST3: Check Friedels for noncentro structure Estimate of Friedel pairs measured 722 Fraction of Friedel pairs measured 0.525 Are heavy atom types Z>Si present yes PLAT005_ALERT_5_G No _iucr_refine_instructions_details in CIF .... ? PLAT072_ALERT_2_G SHELXL First Parameter in WGHT Unusually Large. 0.10 PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature 293 K PLAT200_ALERT_1_G Check the Reported _diffrn_ambient_temperature 293 K PLAT850_ALERT_4_G Check Flack Parameter Exact Value 0.00 and su .. 0.10
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 5 ALERT level C = Check. Ensure it is not caused by an omission or oversight 6 ALERT level G = General information/check it is not something unexpected 2 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 3 ALERT type 3 Indicator that the structure quality may be low 4 ALERT type 4 Improvement, methodology, query or suggestion 1 ALERT type 5 Informative message, check

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