[Open access]

[Contents scheme]

Acta Cryst. (2012). E68, o2673
[ doi:10.1107/S1600536812033120 ]

(Z)-3-Methoxy-N-[(5-nitrothiophen-2-yl)methylidene]aniline

T. Akbal, E. Agar and A. Erdönmez


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 0.310 From the CIF: _refine_ls_abs_structure_Flack_su 0.060 PLAT033_ALERT_4_C Flack x Parameter Value Deviates from Zero ..... 0.310
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 2375 Count of symmetry unique reflns 1389 Completeness (_total/calc) 170.99% TEST3: Check Friedels for noncentro structure Estimate of Friedel pairs measured 986 Fraction of Friedel pairs measured 0.710 Are heavy atom types Z>Si present yes PLAT005_ALERT_5_G No _iucr_refine_instructions_details in CIF .... ? PLAT063_ALERT_4_G Crystal Size Likely too Large for Beam Size .... 0.69 mm
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 2 ALERT level C = Check. Ensure it is not caused by an omission or oversight 3 ALERT level G = General information/check it is not something unexpected 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 0 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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