[Open access]

[Contents scheme]

Acta Cryst. (2013). E69, o667-o668
[ doi:10.1107/S1600536813008970 ]

2-(4-Methylphenyl)-6-nitro-1,3-benzoxazole

R. Centore, V. Piccialli and A. Tuzi


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level B PLAT934_ALERT_3_B Number of (Iobs-Icalc)/SigmaW .gt. 10 Outliers . 1
Alert level C PLAT026_ALERT_3_C Ratio Observed / Unique Reflections too Low .... 45 Perc. PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for N2 PLAT340_ALERT_3_C Low Bond Precision on C-C Bonds ............... 0.0060 Ang PLAT480_ALERT_4_C Long H...A H-Bond Reported H10 .. O2 .. 2.61 Ang. PLAT480_ALERT_4_C Long H...A H-Bond Reported H1B .. O2 .. 2.80 Ang. PLAT905_ALERT_3_C Negative K value in the Analysis of Variance ... -1.817 PLAT905_ALERT_3_C Negative K value in the Analysis of Variance ... -0.429
Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? PLAT158_ALERT_4_G The Input Unitcell is NOT Standard/Reduced ..... ? PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature 293 K PLAT200_ALERT_1_G Check the Reported _diffrn_ambient_temperature 293 K
0 ALERT level A = Most likely a serious problem - resolve or explain 1 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 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 5 ALERT type 3 Indicator that the structure quality may be low 3 ALERT type 4 Improvement, methodology, query or suggestion 1 ALERT type 5 Informative message, check

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