[Open access]

[Contents scheme]

Acta Cryst. (2013). E69, o716
[ doi:10.1107/S1600536813009653 ]

rac-3-(4-Chlorophenyl)-3a,4-dihydro-3H-chromeno[4,3-c]isoxazole-3a-carbonitrile

S. Paramasivam, J. Srinivasan, P. R. Seshadri and M. Bakthadoss


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level C PLAT230_ALERT_2_C Hirshfeld Test Diff for C8 -- C10 .. 5.2 su
Author Response: Caused by strongly vibrating N2 atom which is bound with pyran ring.
PLAT906_ALERT_3_C Large K value in the Analysis of Variance ......      2.104      

Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? PLAT793_ALERT_4_G The Model has Chirality at C8 (Verify) .... R PLAT793_ALERT_4_G The Model has Chirality at C11 (Verify) .... S PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 4
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 2 ALERT level C = Check. Ensure it is not caused by an omission or oversight 4 ALERT level G = General information/check it is not something unexpected 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 1 ALERT type 2 Indicator that the structure model may be wrong or deficient 1 ALERT type 3 Indicator that the structure quality may be low 3 ALERT type 4 Improvement, methodology, query or suggestion 1 ALERT type 5 Informative message, check

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