[Open access]

[Contents scheme]

Acta Cryst. (2012). E68, o3440
[ doi:10.1107/S160053681204740X ]

4-Methyl-2,6-bis(pyrrolidin-1-yl)pyrimidine

S. Sreenivasa, K. E. ManojKumar, M. Shet Prakash, P. A. Suchetan and B. S. Palakshamurthy


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level B PLAT241_ALERT_2_B Check High Ueq as Compared to Neighbors for C11
Alert level C PLAT230_ALERT_2_C Hirshfeld Test Diff for C7 -- C8 .. 7.0 su PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C10 PLAT340_ALERT_3_C Low Bond Precision on C-C Bonds ............... 0.0042 Ang PLAT360_ALERT_2_C Short C(sp3)-C(sp3) Bond C11 - C12 ... 1.41 Ang. PLAT480_ALERT_4_C Long H...A H-Bond Reported H2B .. N3 .. 2.82 Ang. PLAT480_ALERT_4_C Long H...A H-Bond Reported H9C .. N2 .. 2.93 Ang. PLAT481_ALERT_4_C Long D...A H-Bond Reported C2 .. N3 .. 3.79 Ang. PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 6.807 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.595 18 PLAT913_ALERT_3_C Missing # of Very Strong Reflections in FCF .... 5
Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? PLAT072_ALERT_2_G SHELXL First Parameter in WGHT Unusually Large. 0.13 PLAT154_ALERT_1_G The su's on the Cell Angles are Equal .......... 0.03000 Deg. PLAT195_ALERT_1_G Missing _cell_measurement_theta_max datum .... ? PLAT909_ALERT_3_G Percentage of Observed Data at Theta(Max) still 34 Perc. PLAT961_ALERT_5_G Dataset Contains no Negative Intensities ....... !
0 ALERT level A = Most likely a serious problem - resolve or explain 1 ALERT level B = A potentially serious problem, consider carefully 10 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 3 ALERT type 4 Improvement, methodology, query or suggestion 2 ALERT type 5 Informative message, check

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