Acta Cryst. (2005). E61, o2150-o2151  [ doi:10.1107/S1600536805018416 ]

3-[(4,5-Dibromo-1-methyl-1H-pyrrole-2-carbonyl)amino]propanoic acid

Y.-X. Li, P.-R. Liu, X.-C. Zeng, S.-H. Xu and F.-N. Liu

Online 17 June 2005

Key indicators

• Single-crystal X-ray study
• T = 273 K
• Mean (C-C) = 0.005 Å
• R factor = 0.034
• wR factor = 0.085
• Data-to-parameter ratio = 17.8

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT431_ALERT_2_B Short Inter HL..A Contact  Br1    ..  O1      ..       3.02 Ang.  

Alert level C
PLAT066_ALERT_1_C Predicted and Reported Transmissions Identical .          ?
PLAT125_ALERT_4_C No _symmetry_space_group_name_Hall Given .......          ?
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for         C9     
PLAT431_ALERT_2_C Short Inter HL..A Contact  Br2    ..  O2      ..       3.21 Ang.  

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

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

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