Energetic propane-1,3-diaminium and butane-1,4-diaminium salts of <i>N</i>,<i>N</i>'-dinitroethylenediazanide: syntheses, crystal structures and thermal properties
Roodt, Gerhard T.; Uprety, Bhawna; Levendis, Demetrius C.; Arderne, Charmaine; Acta Crystallographica Section C 75 (2019) 54–60; doi:10.1107/S2053229618017588

data_2021416
_publ_section_title
;
 Energetic propane-1,3-diaminium and butane-1,4-diaminium salts of
 <i>N</i>,<i>N</i>'-dinitroethylenediazanide: syntheses, crystal
 structures and thermal properties
;
_journal_coeditor_code           WQ3142
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              54
_journal_page_last               60
_journal_paper_doi               10.1107/S2053229618017588
_journal_volume                  75
_journal_year                    2019
_chemical_formula_iupac          'C4 H14 N2 2+, C2 H4 N4 O4 2-'
_chemical_formula_moiety         'C4 H14 N2 2+, C2 H4 N4 O4 2-'
_chemical_formula_sum            'C6 H18 N6 O4'
_chemical_formula_weight         238.26
_chemical_name_common            'Putrescine ethylenedinitramine'
_chemical_name_systematic
;
Butane-1,4-diaminium (ethane-1,2-diyl)bis(nitroazanide)
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_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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;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
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;
SAINT (Bruker, 2015)
;
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APEX2 (Bruker, 2015)
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SAINT (Bruker, 2015)
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OLEX2 (Dolomanov <i>et al.</i>,  2009)
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OLEX2 (Dolomanov <i>et al.</i>,  2009)
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SHELXL2018 (Sheldrick, 2015b)
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_computing_structure_solution
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SHELXT2014 (Sheldrick, 2015a)
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_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
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_exptl_absorpt_coefficient_mu    0.119
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_exptl_absorpt_process_details
;
(SADABS; Bruker, 2016)
;
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_refine_ls_restrained_S_all      1.068
_refine_ls_R_factor_all          0.0332
_refine_ls_R_factor_gt           0.0308
_refine_ls_shift/su_max          0.000
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_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.0442P)^2^+0.1942P] where P=(Fo^2^+2Fc^2^)/3'
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'Adding full bibliography for 2021415--2021416.cif.'
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