Iminobispyrazole (IBP) photoswitches: two pyrazole rings can be better than one.
Wu, Jiarong; Li, Clara; Kreimendahl, Lasse; Greenfield, Jake L.; Chemical communications (Cambridge, England) 60 (2024) 12365–12368; doi:10.1039/d4cc03517h

data_7133693
_publ_section_title
;
 Iminobispyrazole (IBP) photoswitches: two pyrazole rings can be better
 than one.
;
_journal_issue                   85
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              12365
_journal_page_last               12368
_journal_paper_doi               10.1039/d4cc03517h
_journal_volume                  60
_journal_year                    2024
_chemical_formula_moiety         'C9 H11 N5'
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_chemical_name_systematic
(E)-N,1-bis(1-methyl-1H-pyrazol-4-yl)methanimine
_chemical_properties_physical    Light-sensitive
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
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_atom_sites_solution_primary     dual
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_audit_update_record
;
2024-07-11 deposited with the CCDC.	2024-09-09 downloaded from the CCDC.
;
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_cell_angle_gamma                90
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_diffrn_ambient_temperature      100(2)
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_diffrn_measurement_device_type  Bruker-Kappa-D8Quest_PhotonII
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_diffrn_radiation_type           CuK\a
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_diffrn_reflns_av_unetI/netI     0.0131
_diffrn_reflns_Laue_measured_fraction_full 0.998
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_diffrn_reflns_number            18611
_diffrn_reflns_point_group_measured_fraction_full 0.998
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_diffrn_reflns_theta_min         3.602
_diffrn_source                   Cu/K(alpha)_ImuS_Microsource
_exptl_absorpt_coefficient_mu    0.710
_exptl_absorpt_correction_T_max  0.7536
_exptl_absorpt_correction_T_min  0.6810
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   Bruker-SADABS
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.327
_exptl_crystal_description       needle
_exptl_crystal_F_000             400
_exptl_crystal_recrystallization_method Evaporation
_exptl_crystal_size_max          0.121
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.040
_refine_diff_density_max         0.224
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_refine_diff_density_rms         0.035
_refine_ls_extinction_method     none
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_refine_ls_matrix_type           full
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_refine_ls_number_reflns         1870
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.071
_refine_ls_R_factor_all          0.0357
_refine_ls_R_factor_gt           0.0331
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0407P)^2^+0.3303P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0845
_refine_ls_wR_factor_ref         0.0872
_reflns_Friedel_coverage         0.000
_reflns_number_gt                1723
_reflns_number_total             1870
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d4cc03517h2.cif
_cod_data_source_block           JW_imine_2
_cod_depositor_comments          'Adding full bibliography for 7133693.cif.'
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7133693
_shelx_shelxl_version_number     2019/3
_shelx_estimated_absorpt_t_min   0.919
_shelx_estimated_absorpt_t_max   0.972
_shelx_res_checksum              20063
_shelx_hkl_checksum              34256