[Open access]

[Contents scheme]

Acta Cryst. (2013). E69, o743-o744
[ doi:10.1107/S1600536813009963 ]

5-{4'-[(5-Benzyl-2H-tetrazol-2-yl)methyl]biphenyl-2-yl}-1H-tetrazole monohydrate

G. Y. Meti, S. Jeyaseelan, R. R. Kamble, A. Dorababu and H. C. Devarajegowda


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level C PLAT725_ALERT_2_C D-H Calc 0.98000, Rep 0.96000 Dev... 0.02 Ang. C9) -H91 1.555 1.555 # 54 PLAT725_ALERT_2_C D-H Calc 0.96000, Rep 0.94000 Dev... 0.02 Ang. C12 -H121 1.555 1.555 # 54 PLAT725_ALERT_2_C D-H Calc 0.97000, Rep 0.95000 Dev... 0.02 Ang. C31 -H311 1.555 1.555 # 54 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.600 33
Alert level G FORMU01_ALERT_1_G There is a discrepancy between the atom counts in the _chemical_formula_sum and _chemical_formula_moiety. This is usually due to the moiety formula being in the wrong format. Atom count from _chemical_formula_sum: C22 H20 N8 O1 Atom count from _chemical_formula_moiety:C22 H30 N8 O1 PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? PLAT007_ALERT_5_G Note: Number of Unrefined D-H Atoms ............ 3 PLAT042_ALERT_1_G Calc. and Reported MoietyFormula Strings Differ ? PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature 293 K PLAT200_ALERT_1_G Check the Reported _diffrn_ambient_temperature 293 K PLAT808_ALERT_5_G No Parseable SHELXL Style Weighting Scheme Found ! PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 4 PLAT929_ALERT_5_G No Weight Pars,Obs and Calc R1,wR2,S not checked ! PLAT960_ALERT_3_G Number of Intensities with I .LT. - 2*sig(I) ... 120
0 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 10 ALERT level G = General information/check it is not something unexpected 4 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 3 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 1 ALERT type 4 Improvement, methodology, query or suggestion 4 ALERT type 5 Informative message, check

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