A Straightforward Approach toward Multifunctionalized Pyridazines via Imination/Electrocyclization.
Komkov, Alexander V.; Komendantova, Anna S.; Menchikov, Leonid G.; Chernoburova, Elena I.; Volkova, Yulia A.; Zavarzin, Igor V.; Organic letters 17 (2015) 3734–3737; doi:10.1021/acs.orglett.5b01718

data_1529881
_publ_section_title
;
 A Straightforward Approach toward Multifunctionalized Pyridazines via
 Imination/Electrocyclization.
;
_journal_issue                   15
_journal_name_full               'Organic letters'
_journal_page_first              3734
_journal_page_last               3737
_journal_paper_doi               10.1021/acs.orglett.5b01718
_journal_volume                  17
_journal_year                    2015
_chemical_formula_moiety         'C14 H15 N3 O2'
_chemical_formula_sum            'C14 H15 N3 O2'
_chemical_formula_weight         257.29
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_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   mixed
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_cell_angle_beta                 90.254(3)
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_cell_length_b                   7.3454(10)
_cell_length_c                   25.445(3)
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_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      120(2)
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_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device_type  'Bruker APEX II CCD area detector''
_diffrn_measurement_method       'omega scans'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_av_R_equivalents  0.0392
_diffrn_reflns_av_unetI/netI     0.0399
_diffrn_reflns_Laue_measured_fraction_full 1.000
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_diffrn_reflns_limit_l_min       -36
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_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.987
_diffrn_reflns_theta_full        29.000
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_exptl_absorpt_coefficient_mu    0.095
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.385
_exptl_crystal_description       prism
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_exptl_crystal_size_max          0.400
_exptl_crystal_size_mid          0.230
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_refine_diff_density_rms         0.056
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
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_refine_ls_number_reflns         3962
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.011
_refine_ls_R_factor_all          0.0675
_refine_ls_R_factor_gt           0.0491
_refine_ls_shift/su_max          0.036
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0778P)^2^+0.2623P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1300
_refine_ls_wR_factor_ref         0.1415
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3021
_reflns_number_total             3962
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            ol5b01718_si_002.cif
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_cod_database_code               1529881
_shelx_estimated_absorpt_t_min   0.963
_shelx_estimated_absorpt_t_max   0.980
_shelxl_version_number           2014/6
_shelx_res_checksum              93418
_shelx_hkl_checksum              4852