[Open access]

[Contents scheme]

Acta Cryst. (2013). E69, o115
[ doi:10.1107/S1600536812050891 ]

A second monoclinic polymorph of 4-[(E)-(4-benzyloxybenzylidene)amino]-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one

R. Kant, V. K. Gupta, K. Kapoor, P. S. Nayak, B. K. Sarojini and B. Narayana

Key indicators

checkCIF/PLATON results

No syntax errors found

Alert level C PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C8 PLAT331_ALERT_2_C Small Average Phenyl C-C Dist. C8 -C13A 1.37 Ang. PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 4.612 PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 10 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.600 8
Alert level G PLAT002_ALERT_2_G Number of Distance or Angle Restraints on AtSite 11 PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature 293 K PLAT200_ALERT_1_G Check the Reported _diffrn_ambient_temperature 293 K PLAT301_ALERT_3_G Note: Main Residue Disorder ................... 20 Perc. PLAT811_ALERT_5_G No ADDSYM Analysis: Too Many Excluded Atoms .... ! PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 12 PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 2
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 5 ALERT level C = Check. Ensure it is not caused by an omission or oversight 8 ALERT level G = General information/check it is not something unexpected 2 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 5 ALERT type 3 Indicator that the structure quality may be low 1 ALERT type 4 Improvement, methodology, query or suggestion 2 ALERT type 5 Informative message, check
checkCIF publication errors
Alert level A PUBL024_ALERT_1_A The number of authors is greater than 5. Please specify the role of each of the co-authors for your paper.
Author Response: As the reported work is a part of collaboration between two Universities. Hence the number of authors are greater than 5. Synthesis has been carried out by Prakash S. Nayak, B.K. Sarojini and B. Narayana while Kamini Kapoor, Vivek K.Gupta and Rajnikant are responsible for the single crystal growth, X-ray data collection,refinement of the structure, structure completion in the form of paper and for bearing the financial load fo the publication.

1 ALERT level A = Data missing that is essential or data in wrong format 0 ALERT level G = General alerts. Data that may be required is missing

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