[Open access]

[Contents scheme]

Acta Cryst. (2012). E68, o2666
[ doi:10.1107/S1600536812034095 ]

4-Chloro-1H-pyrrolo[2,3-d]pyrimidine

S.-L. Dong and X. Cheng


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level C PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low ....... 0.967 PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 1 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.600 42 PLAT913_ALERT_3_C Missing # of Very Strong Reflections in FCF .... 19 PLAT975_ALERT_2_C Positive Residual Density at 0.85A from N1 . 0.56 eA-3
Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in CIF .... ? PLAT007_ALERT_5_G Note: Number of Unrefined D-H Atoms ............ 1 PLAT128_ALERT_4_G Alternate Setting of Space-group P21/c ....... P21/n PLAT434_ALERT_2_G Short Inter HL..HL Contact Cl1 .. Cl1 . 3.26 Ang. PLAT961_ALERT_5_G Dataset Contains no Negative Intensities ....... !
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 5 ALERT level C = Check. Ensure it is not caused by an omission or oversight 5 ALERT level G = General information/check it is not something unexpected 0 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 4 ALERT type 3 Indicator that the structure quality may be low 1 ALERT type 4 Improvement, methodology, query or suggestion 3 ALERT type 5 Informative message, check

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