(IUCr) Crystallography Journals Online checkcif report

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Acta Cryst. (2005). E61, o914-o915 [ doi:10.1107/S1600536805006616 ]

5-Bromo-1H-indole-3-carbaldehyde 2-thienoylhydrazone

H. M. Ali, S. N. Abdul Halim, N. H. Lajis, W. J. Basirun, S. M. Zain and S. W. Ng

Online 11 March 2005

Key indicators

Single-crystal X-ray study
T = 295 K
Mean (C-C) = 0.006 Å
R factor = 0.053
wR factor = 0.151
Data-to-parameter ratio = 15.8

checkCIF/PLATON results

No syntax errors found



Alert level A
PLAT305_ALERT_2_A Isolated Hydrogen Atom (Outside Bond Range ??)          >H1

Author Response: This is an artifact of the disorder in the thienyl ring, which was refined as S1-C1-C2-C3,C4 and S1'-C1'-C2'-C3'-C4.

PLAT305_ALERT_2_A Isolated Hydrogen Atom (Outside Bond Range ??)          >H2

Author Response: This is an artifact of the disorder in the thienyl ring, which was refined as S1-C1-C2-C3,C4 and S1'-C1'-C2'-C3'-C4.

PLAT305_ALERT_2_A Isolated Hydrogen Atom (Outside Bond Range ??)          >H3

Author Response: This is an artifact of the disorder in the thienyl ring, which was refined as S1-C1-C2-C3,C4 and S1'-C1'-C2'-C3'-C4.

PLAT305_ALERT_2_A Isolated Hydrogen Atom (Outside Bond Range ??)         <H1'

Author Response: This is an artifact of the disorder in the thienyl ring, which was refined as S1-C1-C2-C3,C4 and S1'-C1'-C2'-C3'-C4.

PLAT305_ALERT_2_A Isolated Hydrogen Atom (Outside Bond Range ??)         <H2'

Author Response: This is an artifact of the disorder in the thienyl ring, which was refined as S1-C1-C2-C3,C4 and S1'-C1'-C2'-C3'-C4.

PLAT305_ALERT_2_A Isolated Hydrogen Atom (Outside Bond Range ??)         <H3'

Author Response: This is an artifact of the disorder in the thienyl ring, which was refined as S1-C1-C2-C3,C4 and S1'-C1'-C2'-C3'-C4.


Alert level B
PLAT061_ALERT_3_B Tmax/Tmin Range Test RR' too Large .............       0.71       

Alert level C
ABSTM02_ALERT_3_C  The ratio of expected to reported Tmax/Tmin(RR') is < 0.90
            Tmin and Tmax reported:      0.178     0.293
            Tmin' and Tmax expected:      0.216     0.293
            RR' =      0.824
            Please check that your absorption correction is appropriate.
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for         C4     
PLAT301_ALERT_3_C Main Residue  Disorder .........................      17.00 Perc. 

   6 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
   7 ALERT type 2 Indicator that the structure model may be wrong or deficient
   3 ALERT type 3 Indicator that the structure quality may be low
   0 ALERT type 4 Improvement, methodology, query or suggestion