Crystal structure of memantine–carboxyborane
Ayudhya, Theppawut I.; Rheingold, Arnold L.; Dingra, Nin N.; Acta Crystallographica Section E 75 (2019) 543–546; doi:10.1107/S2056989019004092

data_2242883
_publ_section_title
;
 Crystal structure of memantine--carboxyborane
;
_journal_coeditor_code           HB7806
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              543
_journal_page_last               546
_journal_paper_doi               10.1107/S2056989019004092
_journal_volume                  75
_journal_year                    2019
_chemical_formula_iupac          'C13 H24 B N O2'
_chemical_formula_moiety         'C13 H24 B N O2'
_chemical_formula_sum            'C13 H24 B N O2'
_chemical_formula_weight         237.14
_chemical_name_common
;
Memantine--carboxyborane
;
_chemical_name_systematic
;
3,5-Dimethyladamantanylamine--boranecarboxylic acid
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   mixed
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;
Olex2 1.2-beta
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
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_cell_formula_units_Z            8
_cell_length_a                   34.229(4)
_cell_length_b                   11.1051(12)
_cell_length_c                   9.2922(10)
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_cell_measurement_temperature    100
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_computing_cell_refinement
;
SAINT (Bruker, 2017)
;
_computing_data_collection
;
APEX3 (Bruker, 2017)
;
_computing_data_reduction
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SAINT (Bruker, 2017)
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_computing_molecular_graphics
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<i>OLEX2</i> (Dolomanov <i>et al.</i>,  2009)
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<i>OLEX2</i> (Dolomanov <i>et al.</i>,  2009)
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SHELXL2014 (Sheldrick, 2015b)
;
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;
SHELXT (Sheldrick, 2015a)
;
_diffrn_ambient_temperature      100.0
_diffrn_detector                 'Bruker APEXII CCD'
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_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device       'Kappa Four-Circle'
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_diffrn_measurement_method       '\f and \w scans'
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_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_av_unetI/netI     0.0566
_diffrn_reflns_limit_h_max       41
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_diffrn_reflns_limit_l_max       11
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_exptl_absorpt_correction_T_max  0.333
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_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(<i>TWINABS</i>; Bruker, 2012)
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    0.898
_exptl_crystal_description       plate
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_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.10
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_refine_diff_density_min         -0.238
_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         10740
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.040
_refine_ls_R_factor_all          0.0817
_refine_ls_R_factor_gt           0.0619
_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^)+(0.0598P)^2^+6.9836P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1424
_refine_ls_wR_factor_ref         0.1535
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_reflns_threshold_expression     'I > 2\s(I)'
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_shelx_estimated_absorpt_t_min   0.982
_shelx_estimated_absorpt_t_max   0.994
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