(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2006). E62, o4955-o4957 [ doi:10.1107/S1600536806041614 ]

2-Methoxybenzohydroxamic acid: supramolecular aggregation through two-dimensional networks of N-HO and O-HO interactions

N. Vembu, A. Linden, J. Lee, J. G. Kelly, K. B. Nolan and M. Devocelle

Online 13 October 2006

Key indicators

Single-crystal X-ray study
T = 160 K
Mean (C-C) = 0.003 Å
R factor = 0.060
wR factor = 0.156
Data-to-parameter ratio = 10.7

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT417_ALERT_2_B Short Inter D-H..H-D       H10    ..  H22     ..       2.02 Ang. 

Alert level C
PLAT353_ALERT_3_C Long    N-H Bond (0.87A)   N20    -   H20    ...       1.05 Ang. 

   0 ALERT level A = In general: serious problem
   1 ALERT level B = Potentially serious problem
   1 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
   1 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
   0 ALERT type 5 Informative message, check


checkCIF publication errors

Alert level A
PUBL024_ALERT_1_A The number of authors is greater than 5.
              Please specify the role of each of the co-authors
              for your paper.

Author Response: Role played by each named author is given below. Nagarajan Vembu - Crystallization, Structure solution & refinement, Paper writing Anthony Linden - Data collection and suggestions for improving the quality of the manuscript with special reference to the H-bonding discussion in the comment section Jean Lee - Synthesis of the compound John G. Kelly, Kevin B. Nolan and Marc Devocelle - Planned and advised on synthetic methodology


   1 ALERT level A = Data missing that is essential or data in wrong format
   0 ALERT level G = General alerts. Data that may be required is missing