[Open access]

[Contents scheme]

Acta Cryst. (2013). E69, o138
[ doi:10.1107/S1600536812051124 ]

4-Cyano-N-ethylspiro[chromene-2,4'-piperidine]-1'-carboxamide

P. Rajalakshmi, N. Srinivasan and R. V. Krishnakumar


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level B PLAT414_ALERT_2_B Short Intra D-H..H-X H1N3 .. H11B .. 1.87 Ang. PLAT919_ALERT_3_B Reflection # Likely Affected by the Beamstop ... 1 PLAT934_ALERT_3_B Number of (Iobs-Icalc)/SigmaW .gt. 10 Outliers . 1
Alert level C THETM01_ALERT_3_C The value of sine(theta_max)/wavelength is less than 0.590 Calculated sin(theta_max)/wavelength = 0.5841 PLAT023_ALERT_3_C Resolution (too) Low [sin(theta)/Lambda < 0.6].. 24.53 Deg. PLAT234_ALERT_4_C Large Hirshfeld Difference C4A -- C5A .. 0.17 Ang. PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C5A PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C15A PLAT245_ALERT_2_C U(iso) H2N3 Smaller than U(eq) N3B by ... 0.013 AngSq PLAT340_ALERT_3_C Low Bond Precision on C-C Bonds ............... 0.0042 Ang PLAT414_ALERT_2_C Short Intra D-H..H-X H2N3 .. H11C .. 1.96 Ang. PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.584 51 PLAT918_ALERT_3_C Reflection(s) # with I(obs) much smaller I(calc) 3 PLAT939_ALERT_3_C Large Value of Not (SHELXL) Weight Optimized S . 29.31
Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? PLAT242_ALERT_2_G Check Low Ueq as Compared to Neighbors for C15B PLAT242_ALERT_2_G Check Low Ueq as Compared to Neighbors for C15C PLAT301_ALERT_3_G Note: Main Residue Disorder ................... 5 Perc. PLAT371_ALERT_2_G Long C(sp2)-C(sp1) Bond C8B - C17B ... 1.44 Ang. PLAT371_ALERT_2_G Long C(sp2)-C(sp1) Bond C8A - C17A ... 1.45 Ang. PLAT720_ALERT_4_G Number of Unusual/Non-Standard Labels .......... 2
0 ALERT level A = Most likely a serious problem - resolve or explain 3 ALERT level B = A potentially serious problem, consider carefully 11 ALERT level C = Check. Ensure it is not caused by an omission or oversight 7 ALERT level G = General information/check it is not something unexpected 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 9 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 2 ALERT type 4 Improvement, methodology, query or suggestion 1 ALERT type 5 Informative message, check

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