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Acta Cryst. (2013). E69, o1003  [ doi:10.1107/S1600536813014487 ]

2-[(5-Methylthiophen-2-yl)methylidene]malononitrile

X. Liu, Z. Chen, W. Cao, H. Gan and K. Guo


Key indicators

checkCIF/PLATON results

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Alert level C PLAT026_ALERT_3_C Ratio Observed / Unique Reflections too Low .... 43 % PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C17 PLAT340_ALERT_3_C Low Bond Precision on C-C Bonds ............... 0.0062 Ang PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd. # 1 C9 H6 N2 S PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 81.061 PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 11.615 PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 3.517 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.600 18
Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? PLAT154_ALERT_1_G The su's on the Cell Angles are Equal .......... 0.03000 Deg. PLAT180_ALERT_4_G Check Cell Rounding: # of Values Ending with 0 = 5 PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature 293 K PLAT200_ALERT_1_G Check the Reported _diffrn_ambient_temperature 293 K PLAT371_ALERT_2_G Long C(sp2)-C(sp1) Bond C7 - C8 ... 1.43 Ang. PLAT371_ALERT_2_G Long C(sp2)-C(sp1) Bond C7 - C9 ... 1.41 Ang. PLAT371_ALERT_2_G Long C(sp2)-C(sp1) Bond C16 - C17 ... 1.43 Ang. PLAT371_ALERT_2_G Long C(sp2)-C(sp1) Bond C16 - C18 ... 1.43 Ang. PLAT380_ALERT_4_G Check Incorrectly? Oriented X(sp2)-Methyl Moiety C1 PLAT380_ALERT_4_G Check Incorrectly? Oriented X(sp2)-Methyl Moiety C10 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 14 C6 -C7 -C8 -N1 -151.00 29.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 15 C9 -C7 -C8 -N1 30.00 29.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 16 C6 -C7 -C9 -N2 1.00 0.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 17 C8 -C7 -C9 -N2 18.00 0.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 31 C15 -C16 -C17 -N3 -92.00 17.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 32 C18 -C16 -C17 -N3 91.00 17.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 33 C15 -C16 -C18 -N4 2.00 0.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 34 C17 -C16 -C18 -N4 16.00 0.00 1.555 1.555 1.555 1.555 PLAT961_ALERT_5_G Dataset Contains no Negative Intensities ....... !
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 8 ALERT level C = Check. Ensure it is not caused by an omission or oversight 20 ALERT level G = General information/check it is not something unexpected 3 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 5 ALERT type 2 Indicator that the structure model may be wrong or deficient 6 ALERT type 3 Indicator that the structure quality may be low 12 ALERT type 4 Improvement, methodology, query or suggestion 2 ALERT type 5 Informative message, check
checkCIF publication errors
Alert level G PUBL013_ALERT_1_G The _publ_section_comment (discussion of study) is missing. This is required for a full paper submission (but is optional for an electronic paper).
0 ALERT level A = Data missing that is essential or data in wrong format 1 ALERT level G = General alerts. Data that may be required is missing

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