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Acta Cryst. (2012). E68, o1079  [ doi:10.1107/S1600536812010707 ]

N'-(5-Chloro-2-hydroxybenzylidene)-4-methoxybenzohydrazide

Y. Tan

Online 17 March 2012


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Alert level A THETM01_ALERT_3_A The value of sine(theta_max)/wavelength is less than 0.550 Calculated sin(theta_max)/wavelength = 0.5421
Author Response: Crystals were very small and weakly diffracting with no useful data observed beyond theta = 22.66\%.
PLAT023_ALERT_3_A Resolution (too) Low [sin(theta)/Lambda < 0.6]..      22.66 Deg. 
Author Response: Crystals were very small and weakly diffracting with no useful data observed beyond theta = 22.66\%.

Alert level C REFNR01_ALERT_3_C Ratio of reflections to parameters is < 10 for a centrosymmetric structure sine(theta)/lambda 0.5421 Proportion of unique data used 1.0000 Ratio reflections to parameters 9.6452 PLAT088_ALERT_3_C Poor Data / Parameter Ratio .................... 9.65 PLAT230_ALERT_2_C Hirshfeld Test Diff for O1 -- C2 .. 6.0 su PLAT230_ALERT_2_C Hirshfeld Test Diff for Cl2 -- C20 .. 6.5 su PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C18 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C20 PLAT334_ALERT_2_C Small Average Benzene C-C Dist. C1 -C6 1.37 Ang. PLAT334_ALERT_2_C Small Average Benzene C-C Dist. C9 -C14 1.37 Ang. PLAT334_ALERT_2_C Small Average Benzene C-C Dist. C16 -C21 1.37 Ang. PLAT334_ALERT_2_C Small Average Benzene C-C Dist. C24 -C29 1.37 Ang. PLAT340_ALERT_3_C Low Bond Precision on C-C Bonds ............... 0.0041 Ang PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 1 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.542 36
Alert level G PLAT002_ALERT_2_G Number of Distance or Angle Restraints on AtSite 4 PLAT005_ALERT_5_G No _iucr_refine_instructions_details in CIF .... ? PLAT007_ALERT_5_G Note: Number of Unrefined D-H Atoms ............ 2 PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 2 PLAT909_ALERT_3_G Percentage of Observed Data at Theta(Max) still 38 Perc.
2 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 13 ALERT level C = Check. Ensure it is not caused by an omission or oversight 5 ALERT level G = General information/check it is not something unexpected 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 9 ALERT type 2 Indicator that the structure model may be wrong or deficient 9 ALERT type 3 Indicator that the structure quality may be low 0 ALERT type 4 Improvement, methodology, query or suggestion 2 ALERT type 5 Informative message, check

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