Synthesis and crystal structure of <i>N</i><sup>1</sup>,<i>N</i><sup>2</sup>-di-methyl-ethane-dihydrazide.
Bibik, Yurii S.; Khomenko, Dmytro M.; Doroshchuk, Roman O.; Raspertova, Ilona V.; Bargan, Alexandra; Lampeka, Rostyslav D.; Acta crystallographica. Section E, Crystallographic communications 80 (2024) 148–151; doi:10.1107/S2056989024000239

data_2023010
_publ_section_title
;
 Synthesis and crystal structure of
 <i>N</i><sup>1</sup>,<i>N</i><sup>2</sup>-di-methyl-ethane-dihydrazide.
;
_journal_coeditor_code           VM2294
_journal_issue                   'Pt 2'
_journal_name_full
'Acta crystallographica. Section E, Crystallographic communications'
_journal_page_first              148
_journal_page_last               151
_journal_paper_doi               10.1107/S2056989024000239
_journal_volume                  80
_journal_year                    2024
_chemical_absolute_configuration unk
_chemical_formula_iupac          'C4 H10 N4 O2'
_chemical_formula_moiety         'C4 H10 N4 O2'
_chemical_formula_sum            'C4 H10 N4 O2'
_chemical_formula_weight         146.16
_chemical_name_systematic
;
<i>N</i>^1^,<i>N</i>^2^-Dimethylethanedihydrazide
;
_space_group_crystal_system      orthorhombic
_space_group_IT_number           19
_space_group_name_Hall           'P 2ac 2ab'
_space_group_name_H-M_alt        'P 21 21 21'
_atom_sites_solution_hydrogens   difmap
_atom_sites_solution_primary     dual
_audit_creation_method
;
Olex2 1.5-ac5-024
(compiled 2022.04.12 svn.rca3783a0 for Rigaku Oxford Diffraction, GUI svn.r6498)
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.0356(5)
_cell_length_b                   7.6501(6)
_cell_length_c                   15.7851(14)
_cell_measurement_reflns_used    809
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      21.4460
_cell_measurement_theta_min      2.5740
_cell_volume                     728.84(11)
_computing_cell_refinement
;
CrysAlisPro 1.171.38.41 (Rigaku OD, 2021)
;
_computing_data_collection
;
CrysAlisPro 1.171.38.41 (Rigaku OD, 2021)
;
_computing_data_reduction
;
CrysAlisPro 1.171.38.41 (Rigaku OD, 2021)
;
_computing_molecular_graphics
;
Olex2 1.5-ac5-024 (Dolomanov <i>et al.</i>,  2009)
;
_computing_publication_material
;
Olex2 1.5-ac5-024 (Dolomanov <i>et al.</i>,  2009)
;
_computing_structure_refinement
;
<i>SHELXL2018/3</i> (Sheldrick, 2015b)
;
_computing_structure_solution
;
<i>SHELXT</i>  (Sheldrick, 2015a)
;
_diffrn_ambient_temperature      293(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 8.0797
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Xcalibur, Eos'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0269
_diffrn_reflns_av_unetI/netI     0.0595
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -4
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -6
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            2356
_diffrn_reflns_theta_full        25.011
_diffrn_reflns_theta_max         25.011
_diffrn_reflns_theta_min         2.581
_diffrn_source                   'fine-focus sealed X-ray tube'
_exptl_absorpt_coefficient_mu    0.107
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.97469
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(CrysAlisPro; Rigaku OD, 2021)
;
_exptl_crystal_colour            'clear light colourless'
_exptl_crystal_density_diffrn    1.332
_exptl_crystal_description       prism
_exptl_crystal_F_000             312
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.142
_refine_diff_density_min         -0.115
_refine_ls_abs_structure_details
;
Flack <i>x</i> determined using 280 quotients
[(<i>I</i>^+^)-(<i>I</i>^-^)]/[(<i>I</i>^+^)+(<i>I</i>^-^)]
(Parsons et al., 2013)
;
_refine_ls_abs_structure_Flack   -0.7(10)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.038
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     107
_refine_ls_number_reflns         1279
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.036
_refine_ls_R_factor_all          0.0680
_refine_ls_R_factor_gt           0.0497
_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^)+(0.0311P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0846
_refine_ls_wR_factor_ref         0.0932
_reflns_number_gt                1014
_reflns_number_total             1279
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            vm2294sup1.cif
_cod_data_source_block           I
_cod_depositor_comments          'Adding full bibliography for 2023010.cif.'
_cod_original_cell_volume        728.84(10)
_cod_database_code               2023010
_cod_database_fobs_code          2023010
_shelx_hkl_checksum              54699
_shelx_res_checksum              67873