[Open access]

[Contents scheme]

Acta Cryst. (2013). E69, o78
[ doi:10.1107/S1600536812048489 ]

(E)-2-Phenyl-N-tosylnon-2-en-4-ynamide

X.-Z. Meng and X.-J. Wan


Key indicators

checkCIF/PLATON results

No syntax errors found



Alert level A PLAT366_ALERT_2_A Short? C(sp?)-C(sp?) Bond C17 - C18 ... 1.18 Ang.
Author Response: ... This is a triple bond.

Alert level C PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 3.5 Ratio PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C4 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) ..... 6 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.600 3
Alert level G PLAT002_ALERT_2_G Number of Distance or Angle Restraints on AtSite 9 PLAT003_ALERT_2_G Number of Uiso or Uij Restrained Atom Sites .... 8 PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? PLAT007_ALERT_5_G Note: Number of Unrefined D-H Atoms ............ 1 PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature 293 K PLAT200_ALERT_1_G Check the Reported _diffrn_ambient_temperature 293 K PLAT242_ALERT_2_G Check Low Ueq as Compared to Neighbors for C21 PLAT301_ALERT_3_G Note: Main Residue Disorder ................... 15 Perc. PLAT371_ALERT_2_G Long C(sp2)-C(sp1) Bond C16 - C17 ... 1.42 Ang. PLAT779_ALERT_4_G Suspect or Irrelevant (Bond) Angle in CIF .... # 64 C19 -C18 -C19A 1.555 1.555 1.555 12.70 Deg. PLAT811_ALERT_5_G No ADDSYM Analysis: Too Many Excluded Atoms .... ! PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 170 PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 80
1 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 13 ALERT level G = General information/check it is not something unexpected 2 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 8 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 2 ALERT type 4 Improvement, methodology, query or suggestion 3 ALERT type 5 Informative message, check

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