[Open access]

[Contents scheme]

Acta Cryst. (2012). E68, o2692
[ doi:10.1107/S1600536812034861 ]

2-Amino-4-(4-chlorophenyl)-5,6,7,8,9,10-hexahydrobenzo[8]annulene-1,3-dicarbonitrile

V. Rajni Swamy, N. Srinivasan, R. Ranjith Kumar and R. V. Krishnakumar


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level C PLAT230_ALERT_2_C Hirshfeld Test Diff for C2 -- C8 .. 6.0 su PLAT230_ALERT_2_C Hirshfeld Test Diff for C6 -- C7 .. 6.4 su PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C13 PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C19 PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C20 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C15 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C18 PLAT420_ALERT_2_C D-H Without Acceptor N1 - H1A ... ? PLAT480_ALERT_4_C Long H...A H-Bond Reported H1A .. CL1 .. 2.87 Ang.
Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in CIF .... ? PLAT007_ALERT_5_G Note: Number of Unrefined D-H Atoms ............ 2 PLAT301_ALERT_3_G Note: Main Residue Disorder ................... 8 Perc. PLAT371_ALERT_2_G Long C(sp2)-C(sp1) Bond C2 - C8 ... 1.44 Ang. PLAT371_ALERT_2_G Long C(sp2)-C(sp1) Bond C6 - C7 ... 1.44 Ang. PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 24 C5 -C6 -C7 -N2 159.00 3.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 25 C1 -C6 -C7 -N2 -20.00 3.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 26 C3 -C2 -C8 -N3 141.00 3.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 27 C1 -C2 -C8 -N3 -38.00 3.00 1.555 1.555 1.555 1.555 PLAT779_ALERT_4_G Suspect or Irrelevant (Bond) Angle in CIF .... # 31 C11 -C10 -C11' 1.555 1.555 1.555 35.00 Deg. PLAT779_ALERT_4_G Suspect or Irrelevant (Bond) Angle in CIF .... # 44 H10B -C10 -H10C 1.555 1.555 1.555 35.80 Deg. PLAT779_ALERT_4_G Suspect or Irrelevant (Bond) Angle in CIF .... # 48 H10A -C10 -H10D 1.555 1.555 1.555 37.10 Deg. PLAT779_ALERT_4_G Suspect or Irrelevant (Bond) Angle in CIF .... # 77 C12 -C13 -C12' 1.555 1.555 1.555 41.20 Deg. PLAT779_ALERT_4_G Suspect or Irrelevant (Bond) Angle in CIF .... # 88 H13A -C13 -H13C 1.555 1.555 1.555 38.70 Deg. PLAT779_ALERT_4_G Suspect or Irrelevant (Bond) Angle in CIF .... # 94 H13B -C13 -H13D 1.555 1.555 1.555 42.60 Deg. PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 28
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 9 ALERT level C = Check. Ensure it is not caused by an omission or oversight 16 ALERT level G = General information/check it is not something unexpected 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 10 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 12 ALERT type 4 Improvement, methodology, query or suggestion 2 ALERT type 5 Informative message, check

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