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Acta Cryst. (2013). E69, o1326  [ doi:10.1107/S1600536813020175 ]

2-[4-(2-Chloroacetyl)phenyl]-2-methyl-1-(pyrrolidin-1-yl)propan-1-one

D. Ren


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level B PLAT915_ALERT_3_B Low Friedel Pair Coverage ...................... 7 %
Alert level C PLAT089_ALERT_3_C Poor Data / Parameter Ratio (Zmax < 18) ..... 7.89 PLAT234_ALERT_4_C Large Hirshfeld Difference C2 -- C3 .. 0.18 Ang. PLAT234_ALERT_4_C Large Hirshfeld Difference C3 -- C4 .. 0.18 Ang. PLAT234_ALERT_4_C Large Hirshfeld Difference C15 -- C16 .. 0.18 Ang. PLAT234_ALERT_4_C Large Hirshfeld Difference C29 -- C30 .. 0.17 Ang. PLAT234_ALERT_4_C Large Hirshfeld Difference C31 -- C32 .. 0.19 Ang. PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C3 PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C19 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C15 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C31 PLAT340_ALERT_3_C Low Bond Precision on C-C Bonds ............... 0.0093 Ang. PLAT360_ALERT_2_C Short C(sp3)-C(sp3) Bond C3 - C4 ... 1.37 Ang. PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 8.416 PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 2.442
Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? Do ! PLAT180_ALERT_4_G Check Cell Rounding: # of Values Ending with 0 = 3 PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature 293 K PLAT200_ALERT_1_G Check the Reported _diffrn_ambient_temperature 293 K PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 13 PLAT961_ALERT_5_G Dataset Contains no Negative Intensities ....... ! Check
0 ALERT level A = Most likely a serious problem - resolve or explain 1 ALERT level B = A potentially serious problem, consider carefully 14 ALERT level C = Check. Ensure it is not caused by an omission or oversight 6 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 5 ALERT type 3 Indicator that the structure quality may be low 7 ALERT type 4 Improvement, methodology, query or suggestion 2 ALERT type 5 Informative message, check

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