[Open access]

[Contents scheme]

Acta Cryst. (2012). E68, o2688
[ doi:10.1107/S1600536812034733 ]

Bis(pyrrolidin-1-yl)phosphinic (2,4-difluorobenzoyl)amide

M. Keikha, M. Pourayoubi, J. P. Jasinski and J. A. Golen


Key indicators

checkCIF/PLATON results

No syntax errors found



Datablock: I



Alert level B PLAT220_ALERT_2_B Large Non-Solvent C Ueq(max)/Ueq(min) ... 4.9 Ratio
Alert level C PLAT222_ALERT_3_C Large Non-Solvent H Uiso(max)/Uiso(min) .. 4.4 Ratio PLAT230_ALERT_2_C Hirshfeld Test Diff for C9 -- C10 .. 5.4 su PLAT234_ALERT_4_C Large Hirshfeld Difference N2 -- C11A .. 0.18 Ang. PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for N2 PLAT366_ALERT_2_C Short? C(sp?)-C(sp?) Bond C1 - C2 ... 1.38 Ang. PLAT366_ALERT_2_C Short? C(sp?)-C(sp?) Bond C1 - C6 ... 1.39 Ang. PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 7
Alert level G PLAT002_ALERT_2_G Number of Distance or Angle Restraints on AtSite 26 PLAT242_ALERT_2_G Check Low Ueq as Compared to Neighbors for C8 PLAT242_ALERT_2_G Check Low Ueq as Compared to Neighbors for C12 PLAT242_ALERT_2_G Check Low Ueq as Compared to Neighbors for C14 PLAT242_ALERT_2_G Check Low Ueq as Compared to Neighbors for C10A PLAT242_ALERT_2_G Check Low Ueq as Compared to Neighbors for C15A PLAT301_ALERT_3_G Note: Main Residue Disorder ................... 39 Perc. PLAT720_ALERT_4_G Number of Unusual/Non-Standard Labels .......... 4 PLAT811_ALERT_5_G No ADDSYM Analysis: Too Many Excluded Atoms .... ! PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 25
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 10 ALERT level G = General information/check it is not something unexpected 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 11 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 2 ALERT type 4 Improvement, methodology, query or suggestion 1 ALERT type 5 Informative message, check

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