[Open access]

[Contents scheme]

Acta Cryst. (2013). E69, o412-o413
[ doi:10.1107/S1600536813004315 ]

Powder X-ray investigation of 4,4'-diisocyano-3,3'-dimethylbiphenyl

M. Rukiah and M. Al-Ktaifani


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level B PLAT220_ALERT_2_B Large Non-Solvent C Ueq(max)/Ueq(min) ... 6.4 Ratio PLAT340_ALERT_3_B Low Bond Precision on C-C Bonds ............... 0.0198 Ang
Alert level C PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for N1 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for N2 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C3 PLAT480_ALERT_4_C Long H...A H-Bond Reported H6 .. C14 .. 2.90 Ang. PLAT480_ALERT_4_C Long H...A H-Bond Reported H7 .. C14 .. 2.82 Ang. PLAT480_ALERT_4_C Long H...A H-Bond Reported H16B .. C1 .. 2.81 Ang. PLAT480_ALERT_4_C Long H...A H-Bond Reported H16A .. C16 .. 2.88 Ang.
0 ALERT level A = Most likely a serious problem - resolve or explain 2 ALERT level B = A potentially serious problem, consider carefully 7 ALERT level C = Check. Ensure it is not caused by an omission or oversight 0 ALERT level G = General information/check it is not something unexpected 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 4 ALERT type 2 Indicator that the structure model may be wrong or deficient 1 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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