A metal-free cyclic iminium induced one-pot double annulation cascade: access to dihydroisoquinolinium (DHIQ) salts.
Sagar, A.; Nagarjuna Babu, Venkata; Shinde, Anand H.; Sharada, Duddu S.; Organic & biomolecular chemistry 14 (2016) 10366–10370; doi:10.1039/c6ob02089e

data_7155324
_publ_section_title
;
 A metal-free cyclic iminium induced one-pot double annulation cascade:
 access to dihydroisoquinolinium (DHIQ) salts.
;
_journal_issue                   44
_journal_name_full               'Organic &amp; biomolecular chemistry'
_journal_page_first              10366
_journal_page_last               10370
_journal_paper_doi               10.1039/c6ob02089e
_journal_volume                  14
_journal_year                    2016
_chemical_formula_moiety         'Br, C19 H22 N3'
_chemical_formula_sum            'C19 H22 Br N3'
_chemical_formula_weight         372.31
_chemical_melting_point          468
_chemical_name_systematic
'13-(tert-butylamino)-5,6-dihydropyrido[2',1':2,3]imidazo[5,1-a]isoquinolin-7-ium bromide'
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
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_atom_sites_solution_primary     direct
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Olex2 1.2
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2016-05-06 deposited with the CCDC.
2016-10-18 downloaded from the CCDC.
;
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CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
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CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
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CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
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 13 omega  137.00  171.00   1.0000    1.5000
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 16 omega   78.00  170.00   1.0000    1.5000
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 17 omega   39.00   86.00   1.0000    1.5000
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 18 omega   59.00   90.00   1.0000    1.5000
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 19 omega   87.00  123.00   1.0000    1.5000
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 20 omega   64.00  115.00   1.0000    1.5000
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 21 omega   42.00   93.00   1.0000    1.5000
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 22 omega   41.00   67.00   1.0000    1.5000
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 23 omega   39.00   76.00   1.0000    1.5000
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 24 omega   40.00   92.00   1.0000    1.5000
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 25 omega   49.00  152.00   1.0000    1.5000
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 26 omega   59.00  112.00   1.0000    1.5000
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 27 omega -104.00  -11.00   1.0000    1.5000
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 28 omega -101.00  -12.00   1.0000    1.5000
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 29 omega -101.00  -12.00   1.0000    1.5000
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 30 omega  -17.00   76.00   1.0000    1.5000
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 31 omega  -17.00   76.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
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;
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CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
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_exptl_crystal_colour            'clear colourless'
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'w=1/[\s^2^(Fo^2^)+(0.0573P)^2^+0.0870P] where P=(Fo^2^+2Fc^2^)/3'
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_cod_depositor_comments          'Adding full bibliography for 7155324.cif.'
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_cod_database_code               7155324
_reflns_odcompleteness_completeness 99.38
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_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C3(H3a,H3b), C4(H4a,H4b)
2.b Aromatic/amide H refined with riding coordinates:
 C13(H13), C15(H15), C12(H12), C14(H14), C9(H9), C6(H6), C8(H8), C7(H7)
2.c Idealised Me refined as rotating group:
 C18(H18a,H18b,H18c), C17(H17a,H17b,H17c), C19(H19a,H19b,H19c)
;
_olex2_submission_original_sample_id 'EXP - 135'
_olex2_submission_special_instructions 'No special instructions were received'
_solvent_exptl_crystal_recrystallization_method DCM