[Open access]

[Contents scheme]

Acta Cryst. (2012). E68, o3164-o3165
[ doi:10.1107/S1600536812042663 ]

(E)-3-(1,3-Benzodioxol-5-yl)-2-{[N-(2-formylphenyl)-4-methylbenzenesulfonamido]methyl}prop-2-enenitrile

M. Bakthadoss, A. Devaraj, R. Madhanraj and S. Murugavel


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level C PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 3.8 Ratio PLAT230_ALERT_2_C Hirshfeld Test Diff for C8 -- C9 .. 5.5 su PLAT230_ALERT_2_C Hirshfeld Test Diff for C10 -- C11 .. 6.7 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 O5 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C7 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C11 PLAT334_ALERT_2_C Small Average Benzene C-C Dist. C18 -C23 1.37 Ang. PLAT905_ALERT_3_C Negative K value in the Analysis of Variance ... -0.017 PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 1
Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in CIF .... ? PLAT128_ALERT_4_G Alternate Setting of Space-group P21/c ....... P21/n PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature 293 K PLAT200_ALERT_1_G Check the Reported _diffrn_ambient_temperature 293 K PLAT371_ALERT_2_G Long C(sp2)-C(sp1) Bond C16 - C24 ... 1.43 Ang. PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 43 C17 -C16 -C24 -N2 152.00 6.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 44 C15 -C16 -C24 -N2 -32.00 6.00 1.555 1.555 1.555 1.555 PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 56
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 10 ALERT level C = Check. Ensure it is not caused by an omission or oversight 8 ALERT level G = General information/check it is not something unexpected 2 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 2 ALERT type 3 Indicator that the structure quality may be low 4 ALERT type 4 Improvement, methodology, query or suggestion 1 ALERT type 5 Informative message, check

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