[Open access]

[Contents scheme]

Acta Cryst. (2013). E69, o1539-o1540
[ doi:10.1107/S1600536813024999 ]

5-Chloro-2-(thiophen-2-yl)-1-(thiophen-2-ylmethyl)-1H-benzimidazole-6-chloro-2-(thiophen-2-yl)-1-(thiophen-2-ylmethyl)-1H-benzimidazole (0.94/0.06)

D. K. Geiger and M. R. Nellist


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level C PLAT431_ALERT_2_C Short Inter HL..A Contact Cl2 .. S201 . 3.42 Ang. PLAT480_ALERT_4_C Long H...A H-Bond Reported H22 .. N2 .. 2.68 Ang. PLAT480_ALERT_4_C Long H...A H-Bond Reported H3 .. N4 .. 2.68 Ang. PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 4.802 PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 3 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.597 23
Alert level G PLAT002_ALERT_2_G Number of Distance or Angle Restraints on AtSite 29 PLAT003_ALERT_2_G Number of Uiso or Uij Restrained non-H Atoms ... 20 PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? Do ! PLAT063_ALERT_4_G Crystal Size Likely too Large for Beam Size .... 0.80 mm PLAT301_ALERT_3_G Note: Main Residue Disorder ................... 26 % PLAT779_ALERT_4_G Suspect or Irrelevant (Bond) Angle in CIF .... # 75 CL11 -C4 -H4 1.555 1.555 1.555 16.20 Deg. PLAT779_ALERT_4_G Suspect or Irrelevant (Bond) Angle in CIF .... # 81 CL1 -C5 -H5 1.555 1.555 1.555 1.20 Deg. PLAT779_ALERT_4_G Suspect or Irrelevant (Bond) Angle in CIF .... # 90 C208 -C7 -C8 1.555 1.555 1.555 1.30 Deg. PLAT779_ALERT_4_G Suspect or Irrelevant (Bond) Angle in CIF .... # 120 C204 -C23 -C24 1.555 1.555 1.555 1.00 Deg. PLAT811_ALERT_5_G No ADDSYM Analysis: Too Many Excluded Atoms .... ! Info PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 227 PLAT909_ALERT_3_G Percentage of Observed Data at Theta(Max) still 65 %
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 6 ALERT level C = Check. Ensure it is not caused by an omission or oversight 12 ALERT level G = General information/check it is not something unexpected 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 3 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 7 ALERT type 4 Improvement, methodology, query or suggestion 2 ALERT type 5 Informative message, check

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