Acta Cryst. (2010). E66, o1504  [ doi:10.1107/S1600536810015126 ]

2-[(2,4-Dihydroxybenzylidene)amino]-3',6'-bis(ethylamino)spiro[isoindoline-1,9'-xanthen]-3-one

Z.-H. Xu, Y.-L. Zhang, Y.-R. Zhao and F.-L. Yang

Online 29 May 2010

Key indicators

• Single-crystal X-ray study
• T = 296 K
• Mean (C-C) = 0.007 Å
• R factor = 0.070
• wR factor = 0.215
• Data-to-parameter ratio = 13.5

checkCIF/PLATON results

No syntax errors found



Alert level A
PLAT900_ALERT_1_A No Matching Reflection File Found ..............          !
PLAT900_ALERT_1_A No Matching Reflection File Found ..............          !
PLAT902_ALERT_1_A No (Interpretable) Reflections found in FCF ....          !

Alert level B
PLAT230_ALERT_2_B Hirshfeld Test Diff for    N1     --  C2      ..       7.75 su   
PLAT230_ALERT_2_B Hirshfeld Test Diff for    N4     --  C29     ..       8.91 su   
PLAT360_ALERT_2_B Short  C(sp3)-C(sp3) Bond  C3     -   C4     ...       1.32 Ang. 
PLAT410_ALERT_2_B Short Intra H...H Contact  H4A    ..  H6      ..       1.84 Ang. 

Alert level C
PLAT026_ALERT_3_C Ratio Observed / Unique Reflections too Low ....         41 Perc.
PLAT220_ALERT_2_C Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       3.33 Ratio
PLAT230_ALERT_2_C Hirshfeld Test Diff for    C1     --  C2      ..       5.41 su   
PLAT230_ALERT_2_C Hirshfeld Test Diff for    C30    --  C35     ..       6.73 su   
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for         O4     
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for         C4     
PLAT340_ALERT_3_C Low Bond Precision on  C-C Bonds (x 1000) Ang ..          7      
PLAT125_ALERT_4_C No _symmetry_space_group_name_Hall Given .......          ?
PLAT234_ALERT_4_C Large Hirshfeld Difference N2     --  C14     ..       0.16 Ang. 
PLAT234_ALERT_4_C Large Hirshfeld Difference N2     --  C17     ..       0.16 Ang. 
PLAT234_ALERT_4_C Large Hirshfeld Difference C31    --  C32     ..       0.16 Ang. 

Alert level G
PLAT343_ALERT_2_G Check sp3     Angle Range in Main Residue for ..        C4       

   3 ALERT level A = In general: serious problem
   4 ALERT level B = Potentially serious problem
  11 ALERT level C = Check and explain
   1 ALERT level G = General alerts; check

   3 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
  10 ALERT type 2 Indicator that the structure model may be wrong or deficient
   2 ALERT type 3 Indicator that the structure quality may be low
   4 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check

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