[Open access]

[Contents scheme]

Acta Cryst. (2013). E69, o792
[ doi:10.1107/S1600536813010787 ]

2-Phenylethanaminium 4-hydroxybenzoate

S. Sudhahar, M. Krishnakumar, B. M. Sornamurthy, G. Chakkaravarthi and R. Mohankumar


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level C PLAT213_ALERT_2_C Atom C12A has ADP max/min Ratio ..... 3.5 prola PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 3.6 Ratio PLAT234_ALERT_4_C Large Hirshfeld Difference N1 -- C15 .. 0.16 Ang. PLAT234_ALERT_4_C Large Hirshfeld Difference C9 -- C10 .. 0.19 Ang. PLAT234_ALERT_4_C Large Hirshfeld Difference C12 -- C13 .. 0.21 Ang. PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C1 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C2 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C5 PLAT334_ALERT_2_C Small Average Benzene C-C Dist. C2 -C7 1.37 Ang. PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 2
Alert level G PLAT002_ALERT_2_G Number of Distance or Angle Restraints on AtSite 10 PLAT003_ALERT_2_G Number of Uiso or Uij Restrained Atom Sites .... 2 PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? PLAT007_ALERT_5_G Note: Number of Unrefined D-H Atoms ............ 7 PLAT042_ALERT_1_G Calc. and Reported MoietyFormula Strings Differ ? PLAT242_ALERT_2_G Check Low Ueq as Compared to Neighbors for C9 PLAT242_ALERT_2_G Check Low Ueq as Compared to Neighbors for C13 PLAT242_ALERT_2_G Check Low Ueq as Compared to Neighbors for C9A PLAT242_ALERT_2_G Check Low Ueq as Compared to Neighbors for C11A PLAT242_ALERT_2_G Check Low Ueq as Compared to Neighbors for C13A PLAT301_ALERT_3_G Note: Main Residue Disorder ................... 47 Perc. PLAT811_ALERT_5_G No ADDSYM Analysis: Too Many Excluded Atoms .... ! PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 6
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 10 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 1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 13 ALERT type 2 Indicator that the structure model may be wrong or deficient 3 ALERT type 3 Indicator that the structure quality may be low 3 ALERT type 4 Improvement, methodology, query or suggestion 3 ALERT type 5 Informative message, check

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