#------------------------------------------------------------------------------
#$Date: 2016-02-20 22:30:07 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176789 $
#$URL: svn://www.crystallography.net/cod/cif/2/22/61/2226188.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2226188
loop_
_publ_author_name
'Naveenkumar, H. S.'
'Sadikun, Amirin'
'Ibrahim, Pazilah'
'Loh, Wan-Sin'
'Fun, Hoong-Kun'
_publ_section_title
;
 (E)-N'-[(E)-2-Methylpent-2-enylidene]isonicotinohydrazide
;
_journal_coeditor_code           IS2553
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o1489
_journal_page_last               o1490
_journal_paper_doi               10.1107/S1600536810019434
_journal_volume                  66
_journal_year                    2010
_chemical_formula_iupac          'C12 H15 N3 O'
_chemical_formula_moiety         'C12 H15 N3 O'
_chemical_formula_sum            'C12 H15 N3 O'
_chemical_formula_weight         217.27
_chemical_name_systematic
;
(E)-N'-[(E)-2-Methylpent-2-enylidene]isonicotinohydrazide
;
_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'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 119.825(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   19.809(4)
_cell_length_b                   8.3459(15)
_cell_length_c                   16.021(3)
_cell_measurement_reflns_used    3734
_cell_measurement_temperature    100.00(10)
_cell_measurement_theta_max      30.14
_cell_measurement_theta_min      2.70
_cell_volume                     2297.8(8)
_computing_cell_refinement       'SAINT (Bruker, 2009)'
_computing_data_collection       'APEX2 (Bruker, 2009)'
_computing_data_reduction        'SAINT (Bruker, 2009)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material
;
SHELXTL (Sheldrick, 2008) and PLATON (Spek, 2009)
;
_computing_structure_refinement  'SHELXTL (Sheldrick, 2008)'
_computing_structure_solution    'SHELXTL (Sheldrick, 2008)'
_diffrn_ambient_temperature      100.00(10)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type
;
Bruker APEXII DUO CCD area-detector diffractometer
;
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0441
_diffrn_reflns_av_sigmaI/netI    0.0405
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            12644
_diffrn_reflns_theta_full        30.18
_diffrn_reflns_theta_max         30.18
_diffrn_reflns_theta_min         2.37
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.083
_exptl_absorpt_correction_T_max  0.9921
_exptl_absorpt_correction_T_min  0.9568
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2009)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.256
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             928
_exptl_crystal_size_max          0.54
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.152
_refine_diff_density_min         -0.467
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.032
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     301
_refine_ls_number_reflns         3396
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.032
_refine_ls_R_factor_all          0.0860
_refine_ls_R_factor_gt           0.0730
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1580P)²+2.1081P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2062
_refine_ls_wR_factor_ref         0.2249
_reflns_number_gt                2883
_reflns_number_total             3396
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            is2553.cif
_cod_data_source_block           I
_cod_original_cell_volume        2297.7(7)
_cod_original_sg_symbol_H-M      'C c'
_cod_database_code               2226188
_cod_database_fobs_code          2226188
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'x, -y, z+1/2'
'x+1/2, y+1/2, z'
'x+1/2, -y+1/2, z+1/2'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
O O1A 0.45226(16) 0.4174(4) 0.2514(2) 0.0279(6) Uani d . 1 . .
N N1A 0.50282(19) 0.5795(5) -0.0143(2) 0.0270(7) Uani d . 1 . .
N N2A 0.33160(18) 0.4903(4) 0.1323(2) 0.0222(6) Uani d . 1 . .
N N3A 0.29513(18) 0.4476(4) 0.1835(2) 0.0222(6) Uani d . 1 . .
C C1A 0.3923(2) 0.5171(5) 0.0042(2) 0.0228(7) Uani d . 1 . .
H H1AA 0.3391 0.4982 -0.0247 0.027 Uiso calc R 1 . .
C C2A 0.4267(2) 0.5523(5) -0.0517(3) 0.0245(7) Uani d . 1 . .
H H2AA 0.3950 0.5570 -0.1182 0.029 Uiso calc R 1 . .
C C3A 0.5470(2) 0.5727(6) 0.0815(3) 0.0332(9) Uani d . 1 . .
H H3AA 0.6000 0.5926 0.1087 0.040 Uiso calc R 1 . .
C C4A 0.5184(2) 0.5376(6) 0.1427(3) 0.0307(8) Uani d . 1 . .
H H4AA 0.5516 0.5322 0.2089 0.037 Uiso calc R 1 . .
C C5A 0.4391(2) 0.5108(5) 0.1032(3) 0.0233(7) Uani d . 1 . .
C C6A 0.4089(2) 0.4684(5) 0.1703(2) 0.0219(7) Uani d . 1 . .
C C7A 0.2215(2) 0.4758(4) 0.1376(3) 0.0224(6) Uani d . 1 . .
H H7AA 0.1994 0.5197 0.0762 0.027 Uiso calc R 1 . .
C C8A 0.1715(2) 0.4418(5) 0.1777(3) 0.0256(7) Uani d . 1 . .
C C9A 0.0963(3) 0.4814(6) 0.1240(3) 0.0356(9) Uani d . 1 . .
H H9AA 0.0812 0.5247 0.0638 0.043 Uiso calc R 1 . .
C C10A 0.0337(3) 0.4641(7) 0.1499(4) 0.0429(11) Uani d . 1 . .
H H10A 0.0568 0.4299 0.2164 0.052 Uiso calc R 1 . .
H H10B -0.0026 0.3818 0.1099 0.052 Uiso calc R 1 . .
C C11A -0.0096(3) 0.6178(7) 0.1369(4) 0.0448(12) Uani d . 1 . .
H H11A -0.0508 0.6005 0.1510 0.067 Uiso calc R 1 . .
H H11B -0.0311 0.6539 0.0717 0.067 Uiso calc R 1 . .
H H11C 0.0254 0.6975 0.1798 0.067 Uiso calc R 1 . .
C C12A 0.2060(2) 0.3646(6) 0.2752(3) 0.0301(8) Uani d . 1 . .
H H12A 0.1734 0.2774 0.2727 0.045 Uiso calc R 1 . .
H H12B 0.2096 0.4422 0.3214 0.045 Uiso calc R 1 . .
H H12C 0.2570 0.3248 0.2936 0.045 Uiso calc R 1 . .
O O1B 0.20324(15) 0.6331(3) 0.4358(2) 0.0268(6) Uani d . 1 . .
N N1B 0.2523(2) 1.2198(4) 0.5118(3) 0.0330(8) Uani d . 1 . .
N N2B 0.08523(17) 0.7236(4) 0.4095(2) 0.0236(6) Uani d . 1 . .
N N3B 0.04966(18) 0.5750(4) 0.3851(2) 0.0241(6) Uani d . 1 . .
C C1B 0.14199(19) 1.0456(5) 0.4260(2) 0.0219(7) Uani d . 1 . .
H H1BA 0.0886 1.0349 0.3852 0.026 Uiso calc R 1 . .
C C2B 0.1756(2) 1.1958(5) 0.4529(3) 0.0256(7) Uani d . 1 . .
H H2BA 0.1434 1.2851 0.4291 0.031 Uiso calc R 1 . .
C C3B 0.2969(3) 1.0896(6) 0.5452(4) 0.0464(13) Uani d . 1 . .
H H3BA 0.3499 1.1039 0.5869 0.056 Uiso calc R 1 . .
C C4B 0.2692(2) 0.9350(5) 0.5217(4) 0.0392(11) Uani d . 1 . .
H H4BA 0.3030 0.8483 0.5459 0.047 Uiso calc R 1 . .
C C5B 0.1895(2) 0.9105(4) 0.4610(3) 0.0241(7) Uani d . 1 . .
C C6B 0.1606(2) 0.7417(4) 0.4338(2) 0.0230(7) Uani d . 1 . .
C C7B -0.0233(2) 0.5835(5) 0.3572(3) 0.0286(8) Uani d . 1 . .
H H7BA -0.0463 0.6834 0.3502 0.034 Uiso calc R 1 . .
C C8B -0.0706(2) 0.4398(5) 0.3366(4) 0.0354(10) Uani d . 1 . .
C C9B -0.1419(3) 0.4525(7) 0.3267(5) 0.0529(15) Uani d . 1 . .
H H9BA -0.1580 0.5559 0.3297 0.063 Uiso calc R 1 . .
C C10B -0.1989(3) 0.3214(7) 0.3113(5) 0.0497(13) Uani d . 1 . .
H H10C -0.1876 0.2290 0.2836 0.060 Uiso calc R 1 . .
H H10D -0.1926 0.2896 0.3730 0.060 Uiso calc R 1 . .
C C11B -0.2777(4) 0.3700(8) 0.2492(8) 0.072(2) Uani d . 1 . .
H H11D -0.3123 0.2879 0.2476 0.108 Uiso calc R 1 . .
H H11E -0.2861 0.3870 0.1855 0.108 Uiso calc R 1 . .
H H11F -0.2876 0.4677 0.2729 0.108 Uiso calc R 1 . .
C C12B -0.0352(3) 0.2825(5) 0.3361(4) 0.0387(10) Uani d . 1 . .
H H12D -0.0744 0.2008 0.3132 0.058 Uiso calc R 1 . .
H H12E 0.0050 0.2568 0.4002 0.058 Uiso calc R 1 . .
H H12F -0.0132 0.2886 0.2946 0.058 Uiso calc R 1 . .
H H1NB 0.059(3) 0.808(7) 0.421(4) 0.023(11) Uiso d . 1 . .
H H1NA 0.306(3) 0.543(7) 0.082(4) 0.028(13) Uiso d . 1 . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
C2A N1A C3A . . 117.0(3) ?
C6A N2A N3A . . 120.5(3) ?
C6A N2A H1NA . . 121(4) ?
N3A N2A H1NA . . 117(4) ?
C7A N3A N2A . . 113.0(3) ?
C5A C1A C2A . . 118.6(3) ?
C5A C1A H1AA . . 120.7 ?
C2A C1A H1AA . . 120.7 ?
N1A C2A C1A . . 123.3(3) ?
N1A C2A H2AA . . 118.3 ?
C1A C2A H2AA . . 118.3 ?
N1A C3A C4A . . 123.9(4) ?
N1A C3A H3AA . . 118.1 ?
C4A C3A H3AA . . 118.1 ?
C3A C4A C5A . . 118.6(4) ?
C3A C4A H4AA . . 120.7 ?
C5A C4A H4AA . . 120.7 ?
C1A C5A C4A . . 118.5(3) ?
C1A C5A C6A . . 123.3(3) ?
C4A C5A C6A . . 118.1(3) ?
O1A C6A N2A . . 124.5(3) ?
O1A C6A C5A . . 121.4(3) ?
N2A C6A C5A . . 114.2(3) ?
N3A C7A C8A . . 122.7(3) ?
N3A C7A H7AA . . 118.7 ?
C8A C7A H7AA . . 118.7 ?
C9A C8A C7A . . 117.0(4) ?
C9A C8A C12A . . 123.9(4) ?
C7A C8A C12A . . 119.1(3) ?
C8A C9A C10A . . 127.5(4) ?
C8A C9A H9AA . . 116.3 ?
C10A C9A H9AA . . 116.3 ?
C9A C10A C11A . . 112.0(5) ?
C9A C10A H10A . . 109.2 ?
C11A C10A H10A . . 109.2 ?
C9A C10A H10B . . 109.2 ?
C11A C10A H10B . . 109.2 ?
H10A C10A H10B . . 107.9 ?
C10A C11A H11A . . 109.5 ?
C10A C11A H11B . . 109.5 ?
H11A C11A H11B . . 109.5 ?
C10A C11A H11C . . 109.5 ?
H11A C11A H11C . . 109.5 ?
H11B C11A H11C . . 109.5 ?
C8A C12A H12A . . 109.5 ?
C8A C12A H12B . . 109.5 ?
H12A C12A H12B . . 109.5 ?
C8A C12A H12C . . 109.5 ?
H12A C12A H12C . . 109.5 ?
H12B C12A H12C . . 109.5 ?
C3B N1B C2B . . 116.8(4) ?
C6B N2B N3B . . 121.1(3) ?
C6B N2B H1NB . . 119(3) ?
N3B N2B H1NB . . 119(3) ?
C7B N3B N2B . . 112.1(3) ?
C2B C1B C5B . . 118.9(3) ?
C2B C1B H1BA . . 120.6 ?
C5B C1B H1BA . . 120.6 ?
N1B C2B C1B . . 123.6(4) ?
N1B C2B H2BA . . 118.2 ?
C1B C2B H2BA . . 118.2 ?
N1B C3B C4B . . 124.0(4) ?
N1B C3B H3BA . . 118.0 ?
C4B C3B H3BA . . 118.0 ?
C3B C4B C5B . . 119.0(4) ?
C3B C4B H4BA . . 120.5 ?
C5B C4B H4BA . . 120.5 ?
C1B C5B C4B . . 117.7(3) ?
C1B C5B C6B . . 123.9(3) ?
C4B C5B C6B . . 118.4(3) ?
O1B C6B N2B . . 125.0(3) ?
O1B C6B C5B . . 121.7(3) ?
N2B C6B C5B . . 113.3(3) ?
N3B C7B C8B . . 121.3(4) ?
N3B C7B H7BA . . 119.4 ?
C8B C7B H7BA . . 119.4 ?
C9B C8B C7B . . 118.8(4) ?
C9B C8B C12B . . 122.6(4) ?
C7B C8B C12B . . 118.4(4) ?
C8B C9B C10B . . 128.5(5) ?
C8B C9B H9BA . . 115.8 ?
C10B C9B H9BA . . 115.8 ?
C11B C10B C9B . . 112.3(6) ?
C11B C10B H10C . . 109.1 ?
C9B C10B H10C . . 109.1 ?
C11B C10B H10D . . 109.1 ?
C9B C10B H10D . . 109.1 ?
H10C C10B H10D . . 107.9 ?
C10B C11B H11D . . 109.5 ?
C10B C11B H11E . . 109.5 ?
H11D C11B H11E . . 109.5 ?
C10B C11B H11F . . 109.5 ?
H11D C11B H11F . . 109.5 ?
H11E C11B H11F . . 109.5 ?
C8B C12B H12D . . 109.5 ?
C8B C12B H12E . . 109.5 ?
H12D C12B H12E . . 109.5 ?
C8B C12B H12F . . 109.5 ?
H12D C12B H12F . . 109.5 ?
H12E C12B H12F . . 109.5 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
O1A C6A . 1.223(5) ?
N1A C2A . 1.337(5) ?
N1A C3A . 1.338(5) ?
N2A C6A . 1.350(4) ?
N2A N3A . 1.382(4) ?
N2A H1NA . 0.83(6) ?
N3A C7A . 1.287(5) ?
C1A C5A . 1.384(5) ?
C1A C2A . 1.399(5) ?
C1A H1AA . 0.9300 ?
C2A H2AA . 0.9300 ?
C3A C4A . 1.385(6) ?
C3A H3AA . 0.9300 ?
C4A C5A . 1.389(5) ?
C4A H4AA . 0.9300 ?
C5A C6A . 1.510(5) ?
C7A C8A . 1.451(5) ?
C7A H7AA . 0.9300 ?
C8A C9A . 1.340(5) ?
C8A C12A . 1.503(5) ?
C9A C10A . 1.496(6) ?
C9A H9AA . 0.9300 ?
C10A C11A . 1.499(8) ?
C10A H10A . 0.9700 ?
C10A H10B . 0.9700 ?
C11A H11A . 0.9600 ?
C11A H11B . 0.9600 ?
C11A H11C . 0.9600 ?
C12A H12A . 0.9600 ?
C12A H12B . 0.9600 ?
C12A H12C . 0.9600 ?
O1B C6B . 1.228(5) ?
N1B C3B . 1.333(6) ?
N1B C2B . 1.346(5) ?
N2B C6B . 1.350(4) ?
N2B N3B . 1.383(4) ?
N2B H1NB . 0.94(6) ?
N3B C7B . 1.284(5) ?
C1B C2B . 1.384(5) ?
C1B C5B . 1.395(5) ?
C1B H1BA . 0.9300 ?
C2B H2BA . 0.9300 ?
C3B C4B . 1.379(6) ?
C3B H3BA . 0.9300 ?
C4B C5B . 1.397(5) ?
C4B H4BA . 0.9300 ?
C5B C6B . 1.502(5) ?
C7B C8B . 1.456(6) ?
C7B H7BA . 0.9300 ?
C8B C9B . 1.344(7) ?
C8B C12B . 1.490(6) ?
C9B C10B . 1.502(8) ?
C9B H9BA . 0.9300 ?
C10B C11B . 1.431(10) ?
C10B H10C . 0.9700 ?
C10B H10D . 0.9700 ?
C11B H11D . 0.9600 ?
C11B H11E . 0.9600 ?
C11B H11F . 0.9600 ?
C12B H12D . 0.9600 ?
C12B H12E . 0.9600 ?
C12B H12F . 0.9600 ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_publ_flag
N2B H1NB N1A 4_465 0.95(6) 2.08(6) 2.973(5) 156(5) yes
N2A H1NA N1B 2_574 0.83(6) 2.26(6) 3.005(5) 148(5) yes
C7B H7BA O1A 3_455 0.9300 2.5100 3.171(5) 129.00 yes
C12A H12B O1B . 0.9600 2.4800 3.433(5) 173.00 yes
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion
_geom_torsion_publ_flag
C6A N2A N3A C7A . . . . -179.9(3) ?
C3A N1A C2A C1A . . . . -0.3(6) ?
C5A C1A C2A N1A . . . . 0.4(6) ?
C2A N1A C3A C4A . . . . 0.7(7) ?
N1A C3A C4A C5A . . . . -1.3(8) ?
C2A C1A C5A C4A . . . . -0.9(6) ?
C2A C1A C5A C6A . . . . -177.8(3) ?
C3A C4A C5A C1A . . . . 1.3(7) ?
C3A C4A C5A C6A . . . . 178.4(4) ?
N3A N2A C6A O1A . . . . -3.1(6) ?
N3A N2A C6A C5A . . . . 176.2(3) ?
C1A C5A C6A O1A . . . . 157.8(4) ?
C4A C5A C6A O1A . . . . -19.2(6) ?
C1A C5A C6A N2A . . . . -21.5(5) ?
C4A C5A C6A N2A . . . . 161.5(4) ?
N2A N3A C7A C8A . . . . -179.5(4) ?
N3A C7A C8A C9A . . . . 177.8(4) ?
N3A C7A C8A C12A . . . . -2.5(6) ?
C7A C8A C9A C10A . . . . -177.9(5) ?
C12A C8A C9A C10A . . . . 2.4(8) ?
C8A C9A C10A C11A . . . . 127.7(6) ?
C6B N2B N3B C7B . . . . -175.0(4) ?
C3B N1B C2B C1B . . . . -0.3(7) ?
C5B C1B C2B N1B . . . . -0.2(6) ?
C2B N1B C3B C4B . . . . 1.1(9) ?
N1B C3B C4B C5B . . . . -1.5(10) ?
C2B C1B C5B C4B . . . . -0.2(6) ?
C2B C1B C5B C6B . . . . -177.4(4) ?
C3B C4B C5B C1B . . . . 0.9(8) ?
C3B C4B C5B C6B . . . . 178.3(5) ?
N3B N2B C6B O1B . . . . 0.6(6) ?
N3B N2B C6B C5B . . . . -178.2(3) ?
C1B C5B C6B O1B . . . . 153.4(4) ?
C4B C5B C6B O1B . . . . -23.8(6) ?
C1B C5B C6B N2B . . . . -27.8(5) ?
C4B C5B C6B N2B . . . . 155.0(4) ?
N2B N3B C7B C8B . . . . -174.3(4) ?
N3B C7B C8B C9B . . . . 166.8(6) ?
N3B C7B C8B C12B . . . . -7.8(7) ?
C7B C8B C9B C10B . . . . -176.0(6) ?
C12B C8B C9B C10B . . . . -1.7(11) ?
C8B C9B C10B C11B . . . . -144.2(8) ?
