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[Contents scheme]

Acta Cryst. (2012). E68, o2784
[ doi:10.1107/S1600536812036045 ]

5-Amino-3-anilino-1H-pyrazole-4-carbonitrile

S. K. Mohamed, M. Akkurt, F. R. Fronczek, M. A. A. El-Remaily and A. A. Abdelhamid


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level C PLAT230_ALERT_2_C Hirshfeld Test Diff for C8 -- C10 .. 5.8 su PLAT420_ALERT_2_C D-H Without Acceptor N4 - H11 ... ? PLAT420_ALERT_2_C D-H Without Acceptor N4 - H12 ... ?
Alert level G REFLT03_ALERT_4_G ALERT: MoKa measured Friedel data cannot be used to determine absolute structure in a light-atom study EXCEPT under VERY special conditions. It is preferred that Friedel data is merged in such cases. From the CIF: _diffrn_reflns_theta_max 30.55 From the CIF: _reflns_number_total 2975 Count of symmetry unique reflns 1727 Completeness (_total/calc) 172.26% TEST3: Check Friedels for noncentro structure Estimate of Friedel pairs measured 1248 Fraction of Friedel pairs measured 0.723 Are heavy atom types Z>Si present no PLAT002_ALERT_2_G Number of Distance or Angle Restraints on AtSite 7 PLAT005_ALERT_5_G No _iucr_refine_instructions_details in CIF .... ? PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 4
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 3 ALERT level C = Check. Ensure it is not caused by an omission or oversight 4 ALERT level G = General information/check it is not something unexpected 0 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 1 ALERT type 3 Indicator that the structure quality may be low 1 ALERT type 4 Improvement, methodology, query or suggestion 1 ALERT type 5 Informative message, check

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