2-(Imidazol-1-yl)-1-(2-naphthyl)ethanone Oxime
Kendi, Engin; Özbey, Süheyla; Karakurt, Arzu; Dalkara, Sevim; Acta Crystallographica Section C 54 (1998) 1513–1515; doi:10.1107/S0108270198005071

data_2007745
_publ_section_title
;
 2-(Imidazol-1-yl)-1-(2-naphthyl)ethanone Oxime
;
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1513
_journal_page_last               1515
_journal_paper_doi               10.1107/S0108270198005071
_journal_volume                  54
_journal_year                    1998
_chemical_formula_moiety         'C15 H13 N3 O1'
_chemical_formula_sum            'C15 H13 N3 O'
_chemical_formula_weight         251.29
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90.00
_cell_angle_beta                 107.770(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.301(2)
_cell_length_b                   8.6650(10)
_cell_length_c                   13.4220(10)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    295
_cell_measurement_theta_max      18.30
_cell_measurement_theta_min      10.05
_cell_volume                     1251.6(3)
_diffrn_measurement_device       'Enraf-Nonius CAD-4'
_diffrn_measurement_method       '\w/2\q scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.013
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            2847
_diffrn_reflns_theta_max         26.3
_diffrn_reflns_theta_min         2.1
_diffrn_standards_decay_%        1.5
_diffrn_standards_interval_time  120
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.087
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            'light brown'
_exptl_crystal_density_diffrn    1.333
_exptl_crystal_density_meas      ?
_exptl_crystal_description       prismatic
_exptl_crystal_size_max          0.62
_exptl_crystal_size_mid          0.54
_exptl_crystal_size_min          0.32
_refine_diff_density_max         0.461
_refine_diff_density_min         -0.267
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   1.08
_refine_ls_hydrogen_treatment    'H atoms riding (see text)'
_refine_ls_number_parameters     181
_refine_ls_number_reflns         1943
_refine_ls_R_factor_obs          0.0452
_refine_ls_shift/esd_max         0.000
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme
;weight:
w = 1/[\s(F^2^) + (0.02F)^2^ + 1]
except w = 0 if F^2^ < 2.0\s(F^2^)
;
_refine_ls_wR_factor_obs         0.0529
_reflns_number_observed          1943
_reflns_number_total             2532
_reflns_observed_criterion       I>2\s(I)
_cod_data_source_file            na1359.cif
_cod_data_source_block           NA1359
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_cell_volume        1251.7(2)
_cod_original_sg_symbol_H-M      'P 21/a'
_cod_original_formula_sum        'C15 H13 N3 O1'
_cod_database_code               2007745