(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2003). E59, o1564-o1566 [ doi:10.1107/S1600536803020130 ]

C-Halogen interactions in 4-chloro-2-(9-ethylcarbazol-3-yl)-1,2-dihydroquinoline-1-carbaldehyde

P. G. Aravindan, S. Selvanayagam, D. Velmurugan, K. Ravikumar, R. Nagarajan and P. T. Perumal

Online 30 September 2003

Key indicators

Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.003 Å
R factor = 0.049
wR factor = 0.141
Data-to-parameter ratio = 15.0

checkCIF/PLATON results

No syntax errors found



Alert level A
PLAT029_ALERT_3_A _diffrn_measured_fraction_theta_full Low .......       0.90       

Alert level B
REFLT03_ALERT_3_B  Reflection count < 90% complete (theta max?)
           From the CIF: _diffrn_reflns_theta_max           28.01
           From the CIF: _diffrn_reflns_theta_full           0.00
           From the CIF: _reflns_number_total               4119
           TEST2: Reflns within _diffrn_reflns_theta_max
           Count of symmetry unique reflns         4583
           Completeness (_total/calc)             89.88%

Alert level C
PLAT220_ALERT_2_C Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       2.57 Ratio 
PLAT222_ALERT_3_C Large Non-Solvent    H     Ueq(max)/Ueq(min) ...       3.21 Ratio 
PLAT242_ALERT_2_C Check Low    U(eq) as Compared to Neighbors ....        C9B     
PLAT301_ALERT_3_C Main Residue  Disorder .........................       7.00 Perc. 

   1 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

   0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   2 ALERT type 2 Indicator that the structure model may be wrong or deficient
   4 ALERT type 3 Indicator that the structure quality may be low
   0 ALERT type 4 Improvement, methodology, query or suggestion