[HTML version][PDF version][Article Abstract][CIF][3d view][Structure Factors][Supplementary Material][Issue contents]  [Open access]

[Contents scheme]

Acta Cryst. (2013). E69, o1006  [ doi:10.1107/S160053681301444X ]

4-(4,5-Diphenyl-1H-imidazol-2-yl)-N,N-dimethylaniline

M. Prabhuswamy, S. Viveka, S. Madan Kumar, G. K. Nagaraja and N. K. Lokanath


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level B PLAT220_ALERT_2_B Large Non-Solvent C Ueq(max)/Ueq(min) ... 4.1 Ratio PLAT220_ALERT_2_B Large Non-Solvent C Ueq(max)/Ueq(min) ... 5.6 Ratio PLAT241_ALERT_2_B Check High Ueq as Compared to Neighbors for C14A PLAT242_ALERT_2_B Check Low Ueq as Compared to Neighbors for N24B PLAT331_ALERT_2_B Small Average Phenyl C-C Dist. C12A -C17A 1.36 Ang.
Alert level C PLAT213_ALERT_2_C Atom C14A has ADP max/min Ratio ..... 3.3 prola PLAT213_ALERT_2_C Atom C15A has ADP max/min Ratio ..... 3.3 prola PLAT222_ALERT_3_C Large Non-Solvent H Uiso(max)/Uiso(min) .. 4.9 Ratio PLAT230_ALERT_2_C Hirshfeld Test Diff for C12A -- C17A .. 5.2 su PLAT230_ALERT_2_C Hirshfeld Test Diff for N24B -- C25B .. 5.2 su PLAT234_ALERT_4_C Large Hirshfeld Difference C15A -- C16A .. 0.20 Ang. PLAT234_ALERT_4_C Large Hirshfeld Difference C16A -- C17A .. 0.16 Ang. PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C16A PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C17A PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C9B PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C20B PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C6A PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C12A PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C18B PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C21B PLAT250_ALERT_2_C Large U3/U1 Ratio for Average U(i,j) Tensor .... 2.4 PLAT250_ALERT_2_C Large U3/U1 Ratio for Average U(i,j) Tensor .... 2.3 PLAT332_ALERT_2_C Large Phenyl C-C Range C12A -C17A 0.17 Ang. PLAT334_ALERT_2_C Small Average Benzene C-C Dist. C18B -C23B 1.37 Ang. PLAT340_ALERT_3_C Low Bond Precision on C-C Bonds ............... 0.0057 Ang PLAT353_ALERT_3_C Long N-H (N0.87,N1.01A) N3A - H3A ... 1.02 Ang. PLAT353_ALERT_3_C Long N-H (N0.87,N1.01A) N1B - H1B ... 1.01 Ang. PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 25.719 PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 4.952 PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 2.112
Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? PLAT007_ALERT_5_G Note: Number of Unrefined Donor-H Atoms ........ 2 PLAT128_ALERT_4_G Note: Alternate Setting of Space-group P21/c . P21/n PLAT790_ALERT_4_G Centre of Gravity not Within Unit Cell: Resd. # 2 C23 H21 N3
0 ALERT level A = Most likely a serious problem - resolve or explain 5 ALERT level B = A potentially serious problem, consider carefully 25 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 21 ALERT type 2 Indicator that the structure model may be wrong or deficient 7 ALERT type 3 Indicator that the structure quality may be low 4 ALERT type 4 Improvement, methodology, query or suggestion 2 ALERT type 5 Informative message, check

Copyright © International Union of Crystallography
IUCr Webmaster