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Acta Cryst. (2012). E68, o180-o181  [ doi:10.1107/S1600536811053554 ]

6-Ethyl-N-methyl-3-nitro-4-nitromethyl-4H-chromen-2-amine

J. Muthukumaran, A. Parthiban, H. Surya Prakash Rao and R. Krishna

Online 21 December 2011


Key indicators

checkCIF/PLATON results

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Datablock: I



Alert level B PLAT430_ALERT_2_B Short Inter D...A Contact O5A .. O5A .. 2.69 Ang.
Alert level C PLAT220_ALERT_2_C Large Non-Solvent O Ueq(max)/Ueq(min) ... 3.6 Ratio PLAT230_ALERT_2_C Hirshfeld Test Diff for O4A -- N3A .. 6.3 su PLAT230_ALERT_2_C Hirshfeld Test Diff for N3A -- C11 .. 5.5 su PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C12 PLAT340_ALERT_3_C Low Bond Precision on C-C Bonds ............... 0.0050 Ang PLAT430_ALERT_2_C Short Inter D...A Contact O2 .. O2 .. 2.89 Ang. PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 3 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.595 4
Alert level G PLAT002_ALERT_2_G Number of Distance or Angle Restraints on AtSite 10 PLAT003_ALERT_2_G Number of Uiso or Uij Restrained Atom Sites .... 10 PLAT005_ALERT_5_G No _iucr_refine_instructions_details in CIF .... ? PLAT072_ALERT_2_G SHELXL First Parameter in WGHT Unusually Large. 0.14 PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature 293 K PLAT200_ALERT_1_G Check the Reported _diffrn_ambient_temperature 293 K PLAT242_ALERT_2_G Check Low Ueq as Compared to Neighbors for N3A PLAT242_ALERT_2_G Check Low Ueq as Compared to Neighbors for N3B PLAT301_ALERT_3_G Note: Main Residue Disorder ................... 19 Perc. PLAT793_ALERT_4_G The Model has Chirality at C7 (Verify) .... R PLAT811_ALERT_5_G No ADDSYM Analysis: Too Many Excluded Atoms .... ! PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 122 PLAT909_ALERT_3_G Percentage of Observed Data at Theta(Max) still 33 Perc.
0 ALERT level A = Most likely a serious problem - resolve or explain 1 ALERT level B = A potentially serious problem, consider carefully 8 ALERT level C = Check. Ensure it is not caused by an omission or oversight 13 ALERT level G = General information/check it is not something unexpected 2 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 11 ALERT type 2 Indicator that the structure model may be wrong or deficient 6 ALERT type 3 Indicator that the structure quality may be low 1 ALERT type 4 Improvement, methodology, query or suggestion 2 ALERT type 5 Informative message, check

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