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Acta Cryst. (2013). E69, o1766-o1767
[ doi:10.1107/S1600536813030559 ]

5-Acetyl-4-(3-hy­droxy­phen­yl)-6-methyl-1,2,3,4-tetra­hydro­pyrimidin-2-one-tris­(hy­droxy­meth­yl)ammonium chloride (2/1)

C. A. M. A. Huq, S. Fouzia and M. NizamMohideen


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level B PLAT223_ALERT_4_B Large Solvent/Anion H Ueq(max)/Ueq(min) ... 4.1 Ratio PLAT420_ALERT_2_B D-H Without Acceptor >O7' - >H7' ... Please Check PLAT420_ALERT_2_B D-H Without Acceptor >O8' - >H8' ... Please Check PLAT420_ALERT_2_B D-H Without Acceptor >O9' - >H9' ... Please Check
Alert level C PLAT034_ALERT_1_C No Flack Parameter Given. Z > Si, NonCentro .... Please Do ! PLAT089_ALERT_3_C Poor Data / Parameter Ratio (Zmax < 18) ........ 6.06 PLAT230_ALERT_2_C Hirshfeld Test Diff for N1 -- C4 .. 5.7 su PLAT230_ALERT_2_C Hirshfeld Test Diff for C10 -- C11 .. 6.8 su PLAT234_ALERT_4_C Large Hirshfeld Difference N5' -- C28' .. 0.18 Ang. PLAT241_ALERT_2_C High Ueq as Compared to Neighbors for ..... C10 Check PLAT242_ALERT_2_C Low Ueq as Compared to Neighbors for ..... C6 Check PLAT242_ALERT_2_C Low Ueq as Compared to Neighbors for ..... C19 Check PLAT340_ALERT_3_C Low Bond Precision on C-C Bonds ............... 0.0073 Ang. PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd. # 1 C13 H14 N2 O3 PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 2.635 Check
Alert level G PLAT002_ALERT_2_G Number of Distance or Angle Restraints on AtSite 40 Note PLAT003_ALERT_2_G Number of Uiso or Uij Restrained non-H Atoms ... 16 PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF Please Do ! PLAT007_ALERT_5_G Number of Unrefined Donor-H Atoms .............. 10 Why ? PLAT072_ALERT_2_G SHELXL First Parameter in WGHT Unusually Large. 0.13 PLAT199_ALERT_1_G Reported _cell_measurement_temperature ..... (K) 293 Check PLAT200_ALERT_1_G Reported _diffrn_ambient_temperature ..... (K) 293 Check PLAT302_ALERT_4_G Anion/Solvent Disorder ............ Percentage = 100 Note PLAT790_ALERT_4_G Centre of Gravity not Within Unit Cell: Resd. # 2 C13 H14 N2 O3 PLAT790_ALERT_4_G Centre of Gravity not Within Unit Cell: Resd. # 5 Cl PLAT790_ALERT_4_G Centre of Gravity not Within Unit Cell: Resd. # 6 Cl PLAT792_ALERT_1_G The Model has Chirality at C4 (Verify) R PLAT792_ALERT_1_G The Model has Chirality at C15 (Verify) R PLAT811_ALERT_5_G No ADDSYM Analysis: Too Many Excluded Atoms .... ! Info PLAT860_ALERT_3_G Number of Least-Squares Restraints ............. 270 Note PLAT909_ALERT_3_G Percentage of Observed Data at Theta(Max) still 40 % PLAT910_ALERT_3_G Missing # of FCF Reflections Below Th(Min) ..... 1 Why ? PLAT961_ALERT_5_G Dataset Contains no Negative Intensities ....... Please Check
0 ALERT level A = Most likely a serious problem - resolve or explain 4 ALERT level B = A potentially serious problem, consider carefully 11 ALERT level C = Check. Ensure it is not caused by an omission or oversight 18 ALERT level G = General information/check it is not something unexpected 5 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 11 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 4 ALERT type 5 Informative message, check

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