[Open access]

[Contents scheme]

Acta Cryst. (2012). E68, o3449
[ doi:10.1107/S1600536812047204 ]

2,6-Dichlorophenyl 4-chlorobenzoate

M. M. M. Abdoh, V. Srinivasa Murthy, B. C. Manjunath, S. Shashikanth and N. K. Lokanath


Key indicators

checkCIF/PLATON results

No syntax errors found



Alert level A PLAT029_ALERT_3_A _diffrn_measured_fraction_theta_full Low ....... 0.920
Author Response: Crystals were weakly diffracting and this is reflected in the low fraction of measured reflections. Although recrystallization and data collection for different crystals was attempted repeatedly, but this structure represents the best of the all.

Alert level B PLAT911_ALERT_3_B Missing # FCF Refl Between THmin & STh/L= 0.600 176
Alert level C REFLT03_ALERT_3_C Reflection count < 95% complete From the CIF: _diffrn_reflns_theta_max 26.02 From the CIF: _diffrn_reflns_theta_full 26.02 From the CIF: _reflns_number_total 2278 TEST2: Reflns within _diffrn_reflns_theta_max Count of symmetry unique reflns 2475 Completeness (_total/calc) 92.04% PLAT250_ALERT_2_C Large U3/U1 Ratio for Average U(i,j) Tensor .... 2.4 PLAT340_ALERT_3_C Low Bond Precision on C-C Bonds ............... 0.0051 Ang PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd. # 1 C13 H7 Cl3 O2 PLAT905_ALERT_3_C Negative K value in the Analysis of Variance ... -0.160
Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 21
1 ALERT level A = Most likely a serious problem - resolve or explain 1 ALERT level B = A potentially serious problem, consider carefully 5 ALERT level C = Check. Ensure it is not caused by an omission or oversight 2 ALERT level G = General information/check it is not something unexpected 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 5 ALERT type 3 Indicator that the structure quality may be low 2 ALERT type 4 Improvement, methodology, query or suggestion 1 ALERT type 5 Informative message, check

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