[Open access]

[Contents scheme]

Acta Cryst. (2013). E69, o174
[ doi:10.1107/S160053681205163X ]

4-[Amino(3-methylphenyl)methylidene]-2-(3-methylphenyl)-1H-imidazol-5(4H)-one ethanol hemisolvate

M. Prabhuswamy, S. Madan Kumar, C. P. Muneer, P. M. Shafi and N. K. Lokanath


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level B PLAT355_ALERT_3_B Long O-H Bond (0.82A) O2 - H2 ... 1.09 Ang.
Author Response: The formation of the H-bond distance between O2 and H2 is significantly elongated. This arised when the H2 atom is positioned according to nearest availble positive electron density. And, we beleive that this long contact is reasonable on chemical intution.

Alert level C PLAT041_ALERT_1_C Calc. and Reported SumFormula Strings Differ ? PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 2.169 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.600 31
Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? PLAT007_ALERT_5_G Note: Number of Unrefined D-H Atoms ............ 7 PLAT042_ALERT_1_G Calc. and Reported MoietyFormula Strings Differ ? PLAT045_ALERT_1_G Calculated and Reported Z Differ by ............ 0.50 Ratio PLAT072_ALERT_2_G SHELXL First Parameter in WGHT Unusually Large. 0.15 PLAT720_ALERT_4_G Number of Unusual/Non-Standard Labels .......... 4 PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 9
0 ALERT level A = Most likely a serious problem - resolve or explain 1 ALERT level B = A potentially serious problem, consider carefully 3 ALERT level C = Check. Ensure it is not caused by an omission or oversight 7 ALERT level G = General information/check it is not something unexpected 3 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 1 ALERT type 2 Indicator that the structure model may be wrong or deficient 3 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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