[Open access]

[Contents scheme]

Acta Cryst. (2013). E69, o1723
[ doi:10.1107/S1600536813028742 ]

Pyrrolidinium-2-carboxyl­ate-4-nitro­phenol (1/2)

N. S. Sowmya, Y. Vidyalakshmi, S. Sampathkrishnan, T. Srinivasan and D. Velmurugan


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level C PLAT241_ALERT_2_C High Ueq as Compared to Neighbors for ..... C17 Check PLAT242_ALERT_2_C Low Ueq as Compared to Neighbors for ..... N2 Check PLAT250_ALERT_2_C Large U3/U1 Ratio for Average U(i,j) Tensor .... 2.1 Note PLAT340_ALERT_3_C Low Bond Precision on C-C Bonds ............... 0.0082 Ang. PLAT934_ALERT_3_C Number of (Iobs-Icalc)/SigmaW > 10 Outliers .... 1 Check
Alert level G PLAT002_ALERT_2_G Number of Distance or Angle Restraints on AtSite 3 Note PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF Please Do ! PLAT007_ALERT_5_G Number of Unrefined Donor-H Atoms .............. 2 Why ? PLAT042_ALERT_1_G Calc. and Reported MoietyFormula Strings Differ Please Check PLAT199_ALERT_1_G Reported _cell_measurement_temperature ..... (K) 293 Check PLAT200_ALERT_1_G Reported _diffrn_ambient_temperature ..... (K) 293 Check PLAT791_ALERT_4_G The Model has Chirality at C14 (Verify) S PLAT860_ALERT_3_G Number of Least-Squares Restraints ............. 2 Note PLAT910_ALERT_3_G Missing # of FCF Reflections Below Th(Min) ..... 2 Why ? PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 12
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 5 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 3 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 4 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 2 ALERT type 5 Informative message, check

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