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Acta Cryst. (2014). E70, o41  [ doi:10.1107/S1600536813033291 ]

2-(1-Benzo­thio­phen-2-yl)-4H-1,3,4-oxa­diazin-5(6H)-one

H.-S. Sun, Y.-L. Li, N. Xu and L.-J. Shen


Key indicators

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Alert level C PLAT230_ALERT_2_C Hirshfeld Test Diff for S -- C1 .. 5.5 su PLAT230_ALERT_2_C Hirshfeld Test Diff for C6 -- C7 .. 6.7 su PLAT241_ALERT_2_C High Ueq as Compared to Neighbors for ..... O1 Check PLAT250_ALERT_2_C Large U3/U1 Ratio for Average U(i,j) Tensor .... 2.3 Note PLAT340_ALERT_3_C Low Bond Precision on C-C Bonds ............... 0.0062 Ang. PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 16.487 Check PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 2.974 Check
Alert level G PLAT003_ALERT_2_G Number of Uiso or Uij Restrained non-H Atoms ... 2 PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF Please Do ! PLAT007_ALERT_5_G Number of Unrefined Donor-H Atoms .............. 1 Why ? PLAT199_ALERT_1_G Reported _cell_measurement_temperature ..... (K) 293 Check PLAT200_ALERT_1_G Reported _diffrn_ambient_temperature ..... (K) 293 Check PLAT860_ALERT_3_G Number of Least-Squares Restraints ............. 1 Note PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 17 PLAT961_ALERT_5_G Dataset Contains no Negative Intensities ....... Please Check
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 8 ALERT level G = General information/check it is not something unexpected 2 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 5 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 1 ALERT type 4 Improvement, methodology, query or suggestion 3 ALERT type 5 Informative message, check

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