[Open access]

[Contents scheme]

Acta Cryst. (2013). E69, o515
[ doi:10.1107/S1600536813006235 ]

2-(4-Fluorobenzylidene)propanedinitrile: monoclinic polymorph

A. M. El-Agrody, M. A. Al-Omar, A.E.-G.E. Amr, S. W. Ng and E. R. T. Tiekink


Key indicators

checkCIF/PLATON results

No syntax errors found



Alert level A PLAT482_ALERT_4_A Small D-H..A Angle Rep for C4 .. CG1 .. 78.60 Deg.
Author Response: This arises from a F...pi intreraction whereby the F atom sits atop the benzene ring, as discussed in the text.

Alert level C PLAT776_ALERT_1_C Suspect D-H Dist in CIF: C4 -- F1 .. 1.35 Ang. PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 16.149 PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 2 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.600 2
Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? PLAT371_ALERT_2_G Long C(sp2)-C(sp1) Bond C8 - C9 ... 1.44 Ang. PLAT371_ALERT_2_G Long C(sp2)-C(sp1) Bond C8 - C10 ... 1.43 Ang. PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 3
1 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 4 ALERT level C = Check. Ensure it is not caused by an omission or oversight 4 ALERT level G = General information/check it is not something unexpected 1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 2 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 2 ALERT type 4 Improvement, methodology, query or suggestion 1 ALERT type 5 Informative message, check

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