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Acta Cryst. (2013). E69, o1240  [ doi:10.1107/S1600536813018667 ]

2-[(2-Chlorophenyl)(hydroxy)methyl]phenol

G. Prakasha, J. P. Jasinski, J. S. Brown, H. S. Yathirajan and D. K. Ravishankara


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Alert level B Crystal system given = trigonal PLAT230_ALERT_2_B Hirshfeld Test Diff for Cl1 -- C9 .. 9.3 su PLAT420_ALERT_2_B D-H Without Acceptor O2 - H2 ... ? Check
Alert level C PLAT031_ALERT_4_C Refined Extinction Parameter within Range ...... 3.167 Sigma PLAT230_ALERT_2_C Hirshfeld Test Diff for O2 -- C3 .. 5.1 su PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C9 PLAT340_ALERT_3_C Low Bond Precision on C-C Bonds ............... 0.0046 Ang. PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 2.422 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.600 3 PLAT975_ALERT_2_C Positive Residual Density at 1.00A from O2 . 0.41 eA-3
Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? Do ! PLAT007_ALERT_5_G Note: Number of Unrefined Donor-H Atoms ........ 1 PLAT072_ALERT_2_G SHELXL First Parameter in WGHT Unusually Large. 0.14 PLAT083_ALERT_2_G SHELXL Second Parameter in WGHT Unusually Large. 8.80 PLAT793_ALERT_4_G The Model has Chirality at C1 (Verify) .... R PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 27
0 ALERT level A = Most likely a serious problem - resolve or explain 2 ALERT level B = A potentially serious problem, consider carefully 7 ALERT level C = Check. Ensure it is not caused by an omission or oversight 6 ALERT level G = General information/check it is not something unexpected 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 3 ALERT type 4 Improvement, methodology, query or suggestion 2 ALERT type 5 Informative message, check

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