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[Contents scheme]

Acta Cryst. (2013). E69, o867-o868
[ doi:10.1107/S1600536813012245 ]

1-(4-Hydroxyphenyl)-2-(2-oxidonaphthalen-1-yl)diazen-1-ium methanol hemisolvate

M. A. Benaouida, S. Chetioui and S. E. Bouaoud


Key indicators

checkCIF/PLATON results

No syntax errors found



Alert level A PLAT412_ALERT_2_A Short Intra XH3 .. XHn H1SA .. H1SB .. 1.57 Ang.
Author Response: Due to the disordered methanol molecule located about a two-fold rotation axis.
PLAT412_ALERT_2_A Short Intra XH3 .. XHn     H1SB   ..  H1SB    ..       1.55 Ang. 
Author Response: Due to the disordered methanol molecule located about a two-fold rotation axis.

Alert level C PLAT230_ALERT_2_C Hirshfeld Test Diff for N1 -- C1 .. 5.4 su PLAT303_ALERT_2_C Full Occupancy H-Atom H1SB with # Connections 1.50 PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 2.872 PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 1
Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? PLAT007_ALERT_5_G Note: Number of Unrefined Donor-H Atoms ........ 3 PLAT042_ALERT_1_G Calc. and Reported MoietyFormula Strings Differ ? PLAT045_ALERT_1_G Calculated and Reported Z Differ by ............ 0.50 Ratio PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature 293 K PLAT200_ALERT_1_G Check the Reported _diffrn_ambient_temperature 293 K PLAT302_ALERT_4_G Note: Anion/Solvent Disorder ................... 50 % PLAT333_ALERT_2_G Check Large Av C6-Ring C-C Dist. C1 -C6 1.42 Ang. PLAT720_ALERT_4_G Number of Unusual/Non-Standard Labels .......... 2 PLAT779_ALERT_4_G Suspect or Irrelevant (Bond) Angle in CIF .... # 3 C1S -O1S -H1SB 1.555 1.555 2.554 37.00 Deg. PLAT779_ALERT_4_G Suspect or Irrelevant (Bond) Angle in CIF .... # 61 O1S -C1S -H1SB 1.555 1.555 2.554 31.50 Deg. PLAT779_ALERT_4_G Suspect or Irrelevant (Bond) Angle in CIF .... # 66 O1S -C1S -H1SB 2.554 1.555 1.555 31.50 Deg. PLAT790_ALERT_4_G Centre of Gravity not Within Unit Cell: Resd. # 2 C H4 O PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 56
2 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 4 ALERT level C = Check. Ensure it is not caused by an omission or oversight 14 ALERT level G = General information/check it is not something unexpected 4 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 5 ALERT type 2 Indicator that the structure model may be wrong or deficient 2 ALERT type 3 Indicator that the structure quality may be low 7 ALERT type 4 Improvement, methodology, query or suggestion 2 ALERT type 5 Informative message, check

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