[Open access]

[Contents scheme]

Acta Cryst. (2013). E69, o1626-o1627
[ doi:10.1107/S1600536813027281 ]

2,2'-Bis{8-[(benzyl­amino)­methyl­idene]-1,6-dihy­droxy-5-isopropyl-3-methyl­naphthalen-7(8H)-one}

S. M. Hakberdiev, S. A. Talipov, D. N. Dalimov and B. T. Ibragimov


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level B PLAT220_ALERT_2_B Large Non-Solvent C Ueq(max)/Ueq(min) ... 4.3 Ratio PLAT220_ALERT_2_B Large Non-Solvent C Ueq(max)/Ueq(min) ... 4.3 Ratio PLAT230_ALERT_2_B Hirshfeld Test Diff for N1A -- C31A .. 8.3 su PLAT331_ALERT_2_B Small Average Phenyl C-C Dist. C32A -C37A 1.35 Ang. PLAT331_ALERT_2_B Small Average Phenyl C-C Dist. C39A -C44A 1.36 Ang. PLAT331_ALERT_2_B Small Average Phenyl C-C Dist. C39B -C44B 1.36 Ang. PLAT410_ALERT_2_B Short Intra H...H Contact H4 .. H23A .. 1.87 Ang. PLAT410_ALERT_2_B Short Intra H...H Contact H14A .. H28C .. 1.89 Ang. PLAT410_ALERT_2_B Short Intra H...H Contact H4B .. H23B .. 1.88 Ang.
Alert level C PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low ....... 0.977 PLAT222_ALERT_3_C Large Non-Solvent H Uiso(max)/Uiso(min) .. 6.3 Ratio PLAT222_ALERT_3_C Large Non-Solvent H Uiso(max)/Uiso(min) .. 4.4 Ratio PLAT230_ALERT_2_C Hirshfeld Test Diff for C33A -- C34A .. 6.0 su PLAT230_ALERT_2_C Hirshfeld Test Diff for C23B -- C24B .. 5.3 su PLAT230_ALERT_2_C Hirshfeld Test Diff for C36B -- C37B .. 5.7 su PLAT234_ALERT_4_C Large Hirshfeld Difference C41A -- C42A .. 0.18 Ang. PLAT234_ALERT_4_C Large Hirshfeld Difference C23B -- C25B .. 0.17 Ang. PLAT234_ALERT_4_C Large Hirshfeld Difference C41B -- C42B .. 0.20 Ang. PLAT241_ALERT_2_C High Ueq as Compared to Neighbors for ..... C31A Check PLAT241_ALERT_2_C High Ueq as Compared to Neighbors for ..... C36A Check PLAT241_ALERT_2_C High Ueq as Compared to Neighbors for ..... C37A Check PLAT241_ALERT_2_C High Ueq as Compared to Neighbors for ..... C43A Check PLAT241_ALERT_2_C High Ueq as Compared to Neighbors for ..... C31B Check PLAT241_ALERT_2_C High Ueq as Compared to Neighbors for ..... C34B Check PLAT241_ALERT_2_C High Ueq as Compared to Neighbors for ..... C41B Check PLAT241_ALERT_2_C High Ueq as Compared to Neighbors for ..... C43B Check PLAT242_ALERT_2_C Low Ueq as Compared to Neighbors for ..... C23A Check PLAT242_ALERT_2_C Low Ueq as Compared to Neighbors for ..... C28A Check PLAT242_ALERT_2_C Low Ueq as Compared to Neighbors for ..... C32A Check PLAT242_ALERT_2_C Low Ueq as Compared to Neighbors for ..... C39A Check PLAT242_ALERT_2_C Low Ueq as Compared to Neighbors for ..... C23B Check PLAT242_ALERT_2_C Low Ueq as Compared to Neighbors for ..... C32B Check PLAT242_ALERT_2_C Low Ueq as Compared to Neighbors for ..... C39B Check PLAT245_ALERT_2_C U(iso) H1A Smaller than U(eq) O1A by ... 0.017 AngSq PLAT331_ALERT_2_C Small Average Phenyl C-C Dist. C32B -C37B 1.36 Ang. PLAT340_ALERT_3_C Low Bond Precision on C-C Bonds ............... 0.0046 Ang. PLAT354_ALERT_3_C Short O-H (X0.82,N0.98A) O1A - H1A ... 0.65 Ang. PLAT410_ALERT_2_C Short Intra H...H Contact H14B .. H28B .. 1.92 Ang. PLAT414_ALERT_2_C Short Intra D-H..H-X H1BN .. H37B .. 1.96 Ang. PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd. # 1 C44 H44 N2 O6 PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 12.483 Check PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 2.531 Check PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.600 17
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 .............. 4 Why ? PLAT072_ALERT_2_G SHELXL First Parameter in WGHT Unusually Large. 0.11 PLAT199_ALERT_1_G Reported _cell_measurement_temperature ..... (K) 293 Check PLAT200_ALERT_1_G Reported _diffrn_ambient_temperature ..... (K) 293 Check PLAT230_ALERT_2_G Hirshfeld Test Diff for C28A -- C30A .. 7.2 su PLAT301_ALERT_3_G Main Residue Disorder ............ Percentage = 2 Note PLAT333_ALERT_2_G Check Large Av C6-Ring C-C Dist. C5A -C10A 1.42 Ang. PLAT333_ALERT_2_G Check Large Av C6-Ring C-C Dist. C5B -C10B 1.42 Ang. PLAT333_ALERT_2_G Check Large Av C6-Ring C-C Dist. C15B -C20B 1.43 Ang. PLAT380_ALERT_4_G Incorrectly? Oriented X(sp2)-Methyl Moiety ..... C21B Check PLAT720_ALERT_4_G Number of Unusual/Non-Standard Labels .......... 6 PLAT779_ALERT_4_G Suspect or Irrelevant (Bond) Angle in CIF .... # 109 C30C -C28A -C29A 1.555 1.555 1.555 15.20 Deg. PLAT790_ALERT_4_G Centre of Gravity not Within Unit Cell: Resd. # 2 C44 H44 N2 O6 PLAT860_ALERT_3_G Number of Least-Squares Restraints ............. 3 Note PLAT910_ALERT_3_G Missing # of FCF Reflections Below Th(Min) ..... 3 Why ? PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 318
0 ALERT level A = Most likely a serious problem - resolve or explain 9 ALERT level B = A potentially serious problem, consider carefully 34 ALERT level C = Check. Ensure it is not caused by an omission or oversight 18 ALERT level G = General information/check it is not something unexpected 2 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 37 ALERT type 2 Indicator that the structure model may be wrong or deficient 11 ALERT type 3 Indicator that the structure quality may be low 9 ALERT type 4 Improvement, methodology, query or suggestion 2 ALERT type 5 Informative message, check

Copyright © International Union of Crystallography
IUCr Webmaster