[Open access]

[Contents scheme]

Acta Cryst. (2012). E68, o2681
[ doi:10.1107/S1600536812034551 ]

2,3-Dibromo-3-(4-chlorophenyl)-1-(4-nitrothiophen-2-yl)propan-1-one

H.-K. Fun, S. Arshad, S. Shetty, B. Kalluraya and M. Babu


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level C PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.600 8
Alert level G PLAT002_ALERT_2_G Number of Distance or Angle Restraints on AtSite 34 PLAT003_ALERT_2_G Number of Uiso or Uij Restrained Atom Sites .... 42 PLAT005_ALERT_5_G No _iucr_refine_instructions_details in CIF .... ? PLAT083_ALERT_2_G SHELXL Second Parameter in WGHT Unusually Large. 5.46 PLAT301_ALERT_3_G Note: Main Residue Disorder ................... 100 Perc. PLAT720_ALERT_4_G Number of Unusual/Non-Standard Labels .......... 6 PLAT793_ALERT_4_G The Model has Chirality at C7 (Verify) .... R PLAT793_ALERT_4_G The Model has Chirality at C8 (Verify) .... S PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 504 PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 39
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 1 ALERT level C = Check. Ensure it is not caused by an omission or oversight 10 ALERT level G = General information/check it is not something unexpected 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 3 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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