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Acta Cryst. (2005). E61, o2674-o2676  [ doi:10.1107/S1600536805022877 ]

Bis(nicotinic acid) hydrogen perchlorate

S. Athimoolam and R. K. Rajaram

Online 23 July 2005


Key indicators

checkCIF/PLATON results

No syntax errors found



Alert level A PLAT355_ALERT_3_A Long O-H Bond (0.82A) O1B - H1B ... 1.23 Ang.
Author Response: The H atom lies on the inversion center and links the two nicotinic
 acid residue through strong symmetric O-H...O hydrogen bond.


Alert level C PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ .... ? PLAT062_ALERT_4_C Rescale T(min) & T(max) by ..................... 0.96 PLAT088_ALERT_3_C Poor Data / Parameter Ratio .................... 9.93 PLAT125_ALERT_4_C No _symmetry_space_group_name_Hall Given ....... ? PLAT152_ALERT_1_C Supplied and Calc Volume s.u. Inconsistent ..... ? PLAT199_ALERT_1_C Check the Reported _cell_measurement_temperature 293 K PLAT200_ALERT_1_C Check the Reported _diffrn_ambient_temperature . 293 K PLAT250_ALERT_2_C Large U3/U1 Ratio for Average U(i,j) Tensor .... 2.04 PLAT751_ALERT_4_C Bond Calc 1.23000, Rep 1.2320(18) ...... Senseless su O1B -H1B 1.555 1.555 PLAT752_ALERT_4_C Angle Calc 112.00, Rep 112.11(18) ...... Senseless su C31 -O1B -H1B 1.555 1.555 1.555
1 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 10 ALERT level C = Check and explain 0 ALERT level G = General alerts; check 4 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 1 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 4 ALERT type 4 Improvement, methodology, query or suggestion

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