[Open access]

[Contents scheme]

Acta Cryst. (2012). E68, o3354-o3355
[ doi:10.1107/S1600536812046193 ]

(1R*,2S*)-N,N'-Bis[(E)-1H-pyrrol-2-ylmethylidene]cyclohexane-1,2-diamine monohydrate

K. J. Akerman


Key indicators

checkCIF/PLATON results

No syntax errors found



Alert level A PLAT900_ALERT_1_A No Matching Reflection File Found .............. !
Alert level B PLAT417_ALERT_2_B Short Inter D-H..H-D H3W .. H01B .. 1.97 Ang.
Alert level C PLAT230_ALERT_2_C Hirshfeld Test Diff for N2A -- C5A .. 5.8 su PLAT230_ALERT_2_C Hirshfeld Test Diff for N3A -- C12A .. 5.4 su PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C3A PLAT417_ALERT_2_C Short Inter D-H..H-D H1W .. H04A .. 2.10 Ang. PLAT417_ALERT_2_C Short Inter D-H..H-D H2W .. H04B .. 2.11 Ang. PLAT601_ALERT_2_C Structure Contains Solvent Accessible VOIDS of . 32 A   3
Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? PLAT128_ALERT_4_G Alternate Setting of Space-group P21/c ....... P21/n PLAT720_ALERT_4_G Number of Unusual/Non-Standard Labels .......... 16 PLAT793_ALERT_4_G The Model has Chirality at C6A (Verify) .... R PLAT793_ALERT_4_G The Model has Chirality at C6B (Verify) .... R PLAT793_ALERT_4_G The Model has Chirality at C11A (Verify) .... S PLAT793_ALERT_4_G The Model has Chirality at C11B (Verify) .... S
1 ALERT level A = Most likely a serious problem - resolve or explain 1 ALERT level B = A potentially serious problem, consider carefully 6 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 1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 7 ALERT type 2 Indicator that the structure model may be wrong or deficient 0 ALERT type 3 Indicator that the structure quality may be low 6 ALERT type 4 Improvement, methodology, query or suggestion 1 ALERT type 5 Informative message, check

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