ESIPT emission behavior of methoxy-substituted 2-hydroxyphenylbenzimidazole isomers
Takagi, Koji; Yamada, Yoshihiro; Fukuda, Ryoichi; Ehara, Masahiro; Takeuchi, Daisuke; New Journal of Chemistry 42 (2018) 5923–; doi:10.1039/C8NJ00455B

data_7057119
_publ_section_title
;
 ESIPT emission behavior of methoxy-substituted
 2-hydroxyphenylbenzimidazole isomers
;
_journal_issue                   8
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              5923
_journal_paper_doi               10.1039/C8NJ00455B
_journal_volume                  42
_journal_year                    2018
_chemical_formula_sum            'C14 H12 N2 O2'
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_space_group_crystal_system      monoclinic
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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'
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_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2018-01-06 deposited with the CCDC.
2018-03-07 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 102.212(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
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_computing_cell_refinement       'APEX2 (Bruker AXS, 2006)'
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_diffrn_measurement_device_type  'Bruker APEXII CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  'Bruker Helios multilayer confocal mirror'
_diffrn_radiation_source         'Bruker TXS fine-focus rotating anode'
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_diffrn_reflns_av_R_equivalents  0.0249
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_diffrn_reflns_Laue_measured_fraction_full 0.603
_diffrn_reflns_Laue_measured_fraction_max 0.598
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_diffrn_reflns_point_group_measured_fraction_full 0.603
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_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.219
_diffrn_reflns_theta_min         2.107
_exptl_absorpt_coefficient_mu    0.097
_exptl_absorpt_correction_T_max  0.996
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_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS Sheldrick 1996
;
_exptl_crystal_colour            colorless
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0400P)^2^] where P=(Fo^2^+2Fc^2^)/3'
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_reflns_threshold_expression     'I > 2\s(I)'
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_cod_depositor_comments
'Adding full bibliography for 7057119--7057121.cif.'
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