[Open access]

[Contents scheme]

Acta Cryst. (2013). E69, o1528
[ doi:10.1107/S1600536813024690 ]

1-{3-(4-Methylphenyl)-5-[5-(2-nitrophenyl)furan-2-yl]-4,5-dihydro-1H-pyrazol-1-yl}ethanone

N. Vinutha, S. Madan Kumar, B. S. Vidyashree Jois, K. Balakrishna, N. K. Lokanath and D. Revannasiddaiah


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level B PLAT029_ALERT_3_B _diffrn_measured_fraction_theta_full Low ....... 0.946
Alert level C RINTA01_ALERT_3_C The value of Rint is greater than 0.12 Rint given 0.138 THETM01_ALERT_3_C The value of sine(theta_max)/wavelength is less than 0.590 Calculated sin(theta_max)/wavelength = 0.5871 PLAT020_ALERT_3_C The value of Rint is greater than 0.12 ......... 0.138 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for N7 PLAT340_ALERT_3_C Low Bond Precision on C-C Bonds ............... 0.0048 Ang. PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.587 177 PLAT918_ALERT_3_C Reflection(s) # with I(obs) much smaller I(calc) 1 PLAT934_ALERT_3_C Number of (Iobs-Icalc)/SigmaW > 10 Outliers .... 1
Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? Do ! PLAT072_ALERT_2_G SHELXL First Parameter in WGHT Unusually Large. 0.16 PLAT154_ALERT_1_G The su's on the Cell Angles are Equal .......... 0.00200 Deg. PLAT793_ALERT_4_G The Model has Chirality at C15 (Verify) .... S PLAT909_ALERT_3_G Percentage of Observed Data at Theta(Max) still 31 %
0 ALERT level A = Most likely a serious problem - resolve or explain 1 ALERT level B = A potentially serious problem, consider carefully 8 ALERT level C = Check. Ensure it is not caused by an omission or oversight 5 ALERT level G = General information/check it is not something unexpected 1 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 9 ALERT type 3 Indicator that the structure quality may be low 1 ALERT type 4 Improvement, methodology, query or suggestion 1 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: ... This work is a collobration between two universities and all the authors have equal scientific contributions to this work. VN -- Solved, refined and analyzed the structure MKS -- Data collection and processing BSVJ-- Performed Synthesis KB -- Designed the synthesis, assisted synthesis and pharmacological studies DR -- Guide and Corresponding author NKL -- Final analysis and manuscript preparation

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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