A long symmetric N···H···N hydrogen bond in bis(4-aminopyridinium)(1+) azide(1{-}): redetermination from the original data
Fábry, Jan; Acta Crystallographica Section E 73 (2017) 1344–1347; doi:10.1107/S2056989017011537

data_2242283
_publ_section_title
;
 A long symmetric N&#x00B7;&#x00B7;&#x00B7;H&#x00B7;&#x00B7;&#x00B7;N
 hydrogen bond in bis(4-aminopyridinium)(1+) azide(1{-}): redetermination
 from the original data
;
_journal_coeditor_code           HB7695
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              1344
_journal_page_last               1347
_journal_paper_doi               10.1107/S2056989017011537
_journal_volume                  73
_journal_year                    2017
_chemical_formula_moiety         'C10 H13 N4 +, N3 -'
_chemical_formula_sum            'C10 H13 N7'
_chemical_formula_weight         231.27
_chemical_name_common
;
Bis(anilinium) azide
;
_chemical_name_systematic
;
\m-Hydrido-bis(4-aminopyridinium) azide
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 99.278(5)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.507(3)
_cell_length_b                   12.247(5)
_cell_length_c                   13.634(5)
_cell_measurement_reflns_used    1359
_cell_measurement_temperature    291(2)
_cell_measurement_theta_max      25.404
_cell_measurement_theta_min      3.028
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_computing_cell_refinement
;
SAINT (Bruker, 2000)
;
_computing_data_collection
;
SMART (Bruker, 2000)
;
_computing_data_reduction
;
SAINT (Bruker, 2000)
;
_computing_molecular_graphics
;
<i>PLATON</i> (Spek, 2009), <i>DIAMOND</i> (Brandenburg & Putz,
2005) and
<i>JANA2006</i> (Pet\<r\'i\<cek <i>et al.</i>, 2014)
;
_computing_publication_material
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<i>JANA2006</i> (Pet\<r\'i\<cek <i>et al.</i>, 2014)
;
_computing_structure_refinement
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<i>JANA2006</i> (Pet\<r\'i\<cek <i>et al.</i>, 2014)
;
_computing_structure_solution
;
SHELXTL (Sheldrick, 2008)
;
_diffrn_ambient_temperature      291(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker SMART 1K CCD area-detector'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           'Mo K\a'
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_diffrn_reflns_av_R_equivalents  0.0724
_diffrn_reflns_av_sigmaI/netI    0.0464
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            3027
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         3.03
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.084
_exptl_absorpt_correction_T_max  0.9916
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_exptl_absorpt_process_details
;
(<i>SADABS</i>; Bruker, 2000)
;
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_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.08
_refine_diff_density_min         -0.07
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.48
_refine_ls_hydrogen_treatment    mixed
_refine_ls_number_constraints    18
_refine_ls_number_parameters     87
_refine_ls_number_reflns         1096
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0471
_refine_ls_R_factor_gt           0.0340
_refine_ls_shift/su_max          0.0039
_refine_ls_shift/su_mean         0.0007
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     w=1/(\s^2^(I)+0.0004I^2^)
_refine_ls_weighting_scheme      sigma
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_reflns_threshold_expression     I>3\s(I)
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_cod_database_fobs_code          2242283