Cyclohexanecarbohydroxamic Acid
Larsen, Ingrid Kjoller; Trickey, Peter; Acta Crystallographica, Section C: Crystal Structure Communications 51 (1995) 125–127; doi:10.1107/S0108270194008413

data_2002903
_publ_section_title
;
 Cyclohexanecarbohydroxamic Acid
;
_journal_coden_ASTM              ACSCEE
_journal_issue                   1
_journal_name_full
;
 Acta Crystallographica, Section C: Crystal Structure Communications
;
_journal_page_first              125
_journal_page_last               127
_journal_paper_doi               10.1107/S0108270194008413
_journal_volume                  51
_journal_year                    1995
_chemical_formula_analytical     ?
_chemical_formula_structural     ?
_chemical_formula_sum            'C7 H13 N O2'
_chemical_formula_weight         143.18
_space_group_IT_number           13
_symmetry_space_group_name_Hall  '-P 2yc'
_symmetry_space_group_name_H-M   'P 1 2/c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 98.46(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.044(3)
_cell_length_b                   6.847(2)
_cell_length_c                   9.465(4)
_cell_measurement_reflns_used    20
_cell_measurement_temperature    294(2)
_cell_measurement_theta_max      18.84
_cell_measurement_theta_min      15.01
_cell_volume                     836.1(5)
_diffrn_measurement_device       'Enraf-Nonius CAD-4 diffractometer'
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.039
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            7143
_diffrn_reflns_theta_max         32.97
_diffrn_standards_decay_%        <1
_diffrn_standards_interval_count 600
_diffrn_standards_interval_time  166
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.083
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.137
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       needles
_exptl_crystal_size_max          0.45
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.183
_refine_diff_density_min         -0.168
_refine_ls_extinction_coef       ?
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   0.940
_refine_ls_goodness_of_fit_obs   0.970
_refine_ls_hydrogen_treatment
' H atoms refined isotropically using the riding model'
_refine_ls_number_parameters     92
_refine_ls_number_reflns         3151
_refine_ls_R_factor_obs          0.0546
_refine_ls_shift/esd_max         -0.088
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_scheme
;calc w = 1/[\s^2^(F~o~^2^)+(0.1004P)^2^+0.1017P] where
P = (F~o~^2^+2F~c~^2^)/3
;
_refine_ls_wR_factor_all         0.2005
_refine_ls_wR_factor_obs         0.1446
_reflns_number_observed          1589
_reflns_number_total             3153
_reflns_observed_criterion       >2\s(I)
_cod_original_sg_symbol_H-M      'P 2/c'
_cod_database_code               2002903