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Acta Cryst. (2013). E69, o1111  [ doi:10.1107/S1600536813016127 ]

Methyl 3-[(6-nitro-4-oxo-3-phenyl-3,4-dihydroquinazolin-2-yl)sulfanyl]propanoate

I. A. Al-Suwaidan, A.A.-M. Abdel-Aziz, A. S. El-Azab, C. S. Chidan Kumar and H.-K. Fun


Key indicators

checkCIF/PLATON results

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Alert level C PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for N3 PLAT331_ALERT_2_C Small Average Phenyl C-C Dist. C9 -C14 1.37 Ang. PLAT340_ALERT_3_C Low Bond Precision on C-C Bonds ............... 0.0065 Ang. PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 19.865 PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 3.382 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.600 38
Alert level G PLAT002_ALERT_2_G Number of Distance or Angle Restraints on AtSite 8 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 ? Do ! PLAT242_ALERT_2_G Check Low Ueq as Compared to Neighbors for O5A PLAT301_ALERT_3_G Note: Main Residue Disorder ................... 15 % PLAT811_ALERT_5_G No ADDSYM Analysis: Too Many Excluded Atoms .... ! Info PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 9 PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 16
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 6 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 0 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 6 ALERT type 3 Indicator that the structure quality may be low 1 ALERT type 4 Improvement, methodology, query or suggestion 2 ALERT type 5 Informative message, check

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