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Acta Cryst. (2011). E67, o2661  [ doi:10.1107/S1600536811037159 ]

(E)-2-[4-(2-Chlorophenyl)but-3-en-2-ylidene]malononitrile

T.-R. Kang

Online 17 September 2011


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level C PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density .... 2.22 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.597 28 PLAT913_ALERT_3_C Missing # of Very Strong Reflections in FCF .... 13
Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in CIF .... ? PLAT154_ALERT_1_G The su's on the Cell Angles are Equal .......... 0.00300 Deg. PLAT371_ALERT_2_G Long C(sp2)-C(sp1) Bond C11 - C12 ... 1.43 Ang. PLAT371_ALERT_2_G Long C(sp2)-C(sp1) Bond C11 - C13 ... 1.43 Ang. PLAT371_ALERT_2_G Long C(sp2)-C(sp1) Bond C24 - C25 ... 1.43 Ang. PLAT371_ALERT_2_G Long C(sp2)-C(sp1) Bond C24 - C26 ... 1.43 Ang. PLAT380_ALERT_4_G Check Incorrectly? Oriented X(sp2)-Methyl Moiety C23 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 15 C22 -C24 -C26 -N4 35.00 9.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 16 C25 -C24 -C26 -N4 -146.00 9.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 17 C9 -C11 -C12 -N1 6.00 0.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 18 C13 -C11 -C12 -N1 12.00 0.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 19 C22 -C24 -C25 -N3 -90.00 17.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 20 C26 -C24 -C25 -N3 91.00 17.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 41 C9 -C11 -C13 -N2 9.00 0.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 42 C12 -C11 -C13 -N2 10.00 0.00 1.555 1.555 1.555 1.555 PLAT909_ALERT_3_G Percentage of Observed Data at Theta(Max) still 81 Perc.
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 3 ALERT level C = Check. Ensure it is not caused by an omission or oversight 16 ALERT level G = General information/check it is not something unexpected 1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 5 ALERT type 2 Indicator that the structure model may be wrong or deficient 3 ALERT type 3 Indicator that the structure quality may be low 9 ALERT type 4 Improvement, methodology, query or suggestion 1 ALERT type 5 Informative message, check

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