5-Methyl-1<i>H</i>-tetrazole
Ohno, Yoshio; Akutsu, Yoshiaki; Arai, Mitsuru; Tamura, Masamitsu; Takehiro Matsunaga; Acta Crystallographica Section C 55 (1999) 1014–1016; doi:10.1107/S0108270199002437

data_2008559
_publ_section_title
;
 5-Methyl-1<i>H</i>-tetrazole
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1014
_journal_page_last               1016
_journal_paper_doi               10.1107/S0108270199002437
_journal_volume                  55
_journal_year                    1999
_chemical_formula_moiety         'C2 H4 N4'
_chemical_formula_sum            'C2 H4 N4'
_chemical_formula_weight         84.08
_space_group_IT_number           9
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 1'
_cell_angle_alpha                90
_cell_angle_beta                 133.98(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   4.586(2)
_cell_length_b                   12.843(4)
_cell_length_c                   9.7670(10)
_cell_measurement_reflns_used    16
_cell_measurement_temperature    296.2
_cell_measurement_theta_max      12.6
_cell_measurement_theta_min      8.6
_cell_volume                     413.9(3)
_computing_cell_refinement       Crystan-GM
_computing_data_collection       'Crystan-GM (Mackay et al., 1995)'
_computing_data_reduction
'TEXSAN (Molecular Structure Corporation, 1998)'
_computing_molecular_graphics    'ORTEPII (Johnson, 1976)'
_computing_publication_material  TEXSAN
_computing_structure_refinement  TEXSAN
_computing_structure_solution    'SIR92 (Altomare et al., 1994)'
_diffrn_measurement_device_type  'MacScience MXC18'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.019
_diffrn_reflns_limit_h_max       5
_diffrn_reflns_limit_h_min       -5
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -5
_diffrn_reflns_number            1025
_diffrn_reflns_theta_max         27.5
_diffrn_standards_decay_%        10
_diffrn_standards_interval_count 100
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.101
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.349
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_size_max          0.70
_exptl_crystal_size_mid          0.60
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.10
_refine_diff_density_min         -0.15
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.859
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     53
_refine_ls_number_reflns         768
_refine_ls_R_factor_gt           0.040
_refine_ls_shift/su_max          0.043
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.00048|Fo|^2^]'
_refine_ls_weighting_scheme      \s
_refine_ls_wR_factor_ref         0.052
_reflns_number_gt                768
_reflns_number_total             950
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            de1103.cif
_cod_data_source_block           global
_cod_original_sg_symbol_H-M      'C c'
_cod_original_formula_sum        'C2 H4 N4 '
_cod_database_code               2008559