[Open access]

[Contents scheme]

Acta Cryst. (2013). E69, o741
[ doi:10.1107/S1600536813009999 ]

2,4,6-Triamino-1,3,5-triazin-1-ium 3-(prop-2-enoyloxy)propanoate acrylic acid monosolvate monohydrate

V. Sangeetha, N. Kanagathara, G. Chakkaravarthi, M. K. Marchewka and G. Anbalagan


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level B PLAT021_ALERT_1_B Ratio Unique / Expected Reflections too High ... 4.573
Alert level C PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C6 PLAT245_ALERT_2_C U(iso) H4D Smaller than U(eq) N4 by ... 0.012 AngSq PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 3.121 PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 2 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.595 18
Alert level G PLAT002_ALERT_2_G Number of Distance or Angle Restraints on AtSite 5 PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? PLAT007_ALERT_5_G Note: Number of Unrefined D-H Atoms ............ 1 PLAT042_ALERT_1_G Calc. and Reported MoietyFormula Strings Differ ? PLAT072_ALERT_2_G SHELXL First Parameter in WGHT Unusually Large. 0.11 PLAT154_ALERT_1_G The su's on the Cell Angles are Equal .......... 0.00100 Deg. PLAT180_ALERT_4_G Check Cell Rounding: # of Values Ending with 0 = 3 PLAT790_ALERT_4_G Centre of Gravity not Within Unit Cell: Resd. # 2 C3 H7 N6 PLAT790_ALERT_4_G Centre of Gravity not Within Unit Cell: Resd. # 3 C3 H4 O2 PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 3 PLAT870_ALERT_4_G ALERTS Related to Twinning Effects Suppressed .. ! PLAT909_ALERT_3_G Percentage of Observed Data at Theta(Max) still 39 Perc. PLAT931_ALERT_5_G Check Twin Law ( 0 0 1)[ ] Estimated BASF 0.28
0 ALERT level A = Most likely a serious problem - resolve or explain 1 ALERT level B = A potentially serious problem, consider carefully 5 ALERT level C = Check. Ensure it is not caused by an omission or oversight 13 ALERT level G = General information/check it is not something unexpected 3 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 5 ALERT type 3 Indicator that the structure quality may be low 4 ALERT type 4 Improvement, methodology, query or suggestion 3 ALERT type 5 Informative message, check

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