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Acta Cryst. (2005). E61, o2379-o2381  [ doi:10.1107/S1600536805020684 ]

Stacking and N-H...O interactions in 2,3-dimethyl-6-nitroaniline

R. Kruszynski

Online 6 July 2005


Key indicators

checkCIF/PLATON results

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Alert level A PLAT029_ALERT_3_A _diffrn_measured_fraction_theta_full Low ....... 0.47
Author Response: ... Because collected data were relatively weak, there is a small amount of reflections with very high measured standard uncertainties of the squared structure factors, and a part of reflections was marked as unobserved and excluded from the data set by diffractometer data reduction software. This affect fraction of unique reflections observed.

Alert level C PLAT125_ALERT_4_C No _symmetry_space_group_name_Hall Given ....... ? PLAT166_ALERT_4_C S.U's Given on Coordinates for calc-flagged .... H2A PLAT166_ALERT_4_C S.U's Given on Coordinates for calc-flagged .... H2B PLAT230_ALERT_2_C Hirshfeld Test Diff for O1 - N1 .. 5.57 su
1 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 4 ALERT level C = Check and explain 0 ALERT level G = General alerts; check 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 1 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 3 ALERT type 4 Improvement, methodology, query or suggestion

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