[Open access]

[Contents scheme]

Acta Cryst. (2013). E69, o971
[ doi:10.1107/S1600536813013858 ]

1-(4-Chlorophenyl)-2-(1,3-diazepan-2-ylidene)ethanone

X.-W. Zhang, J.-H. Xia, Z.-H. Xu, L.-B. Wang and C.-Y. Yu


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level C PLAT340_ALERT_3_C Low Bond Precision on C-C Bonds ............... 0.0044 Ang PLAT601_ALERT_2_C Structure Contains Solvent Accessible VOIDS of . 33 Ang3 PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 15.523 PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 2.751 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 34 PLAT913_ALERT_3_C Missing # of Very Strong Reflections in FCF .... 3 PLAT975_ALERT_2_C Positive Residual Density at 0.95A from N4 . 0.52 eA-3 PLAT975_ALERT_2_C Positive Residual Density at 0.94A from N1 . 0.49 eA-3 PLAT975_ALERT_2_C Positive Residual Density at 0.81A from N3 . 0.42 eA-3 PLAT976_ALERT_2_C Negative Residual Density at 0.98A from N4 . -0.46 eA-3
Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? PLAT007_ALERT_5_G Note: Number of Unrefined Donor-H Atoms ........ 4 PLAT154_ALERT_1_G The su's on the Cell Angles are Equal .......... 0.00400 Deg. PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 23
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 11 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 5 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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