Acta Cryst. (2004). E60, m42-m44  [ doi:10.1107/S1600536803027971 ]

Hydrogen bonding in coordinated thiosemicarbazones: ammine[2-hydroxy-1-naphthaldehyde 4-methylthiosemicarbazonato]nickel(II)

J. V. Martínez, S. Hernández-Ortega and V. Bautista Jimenez

Online 12 December 2003

Key indicators

• Single-crystal X-ray study
• T = 291 K
• Mean (C-C) = 0.005 Å
• R factor = 0.034
• wR factor = 0.080
• Data-to-parameter ratio = 12.4

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT415_ALERT_2_B Short Inter D-H..H-X       H4A    ..  H13A     =       1.94 Ang.  

Alert level C
PLAT352_ALERT_3_C Short   N-H Bond (0.87A)   N3     -   H3A      =       0.71 Ang.  
PLAT420_ALERT_2_C D-H Without Acceptor       N3     -   H3A    ...          ?       
PLAT420_ALERT_2_C D-H Without Acceptor       N4     -   H4C    ...          ?       

   0 ALERT level A = In general: serious problem
   1 ALERT level B = Potentially serious problem
   3 ALERT level C = Check and explain
   0 ALERT level G = General alerts; check

   0 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
   1 ALERT type 3 Indicator that the structure quality may be low
   0 ALERT type 4 Improvement, methodology, query or suggestion

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