#------------------------------------------------------------------------------
#$Date: 2016-03-26 17:11:47 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180380 $
#$URL: svn://www.crystallography.net/cod/cif/7/20/49/7204935.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7204935
loop_
_publ_author_name
'Langley, Philip J.'
'Bailey, Ray T.'
'Cruickshank, Frank R.'
'Kennedy, Alan R.'
'Lochran, Stephen'
'Pugh, David'
'Sherwood, John N.'
'Viikki, Anna'
'Wallis, John D.'
_publ_section_title
;
 Synthesis, characterisation and structure--property analysis of
 derivatives of the non-linear optical material
 5-nitro-N-(1-phenylethyl)pyridin-2-amine
;
_journal_issue                   4
_journal_name_full               'Journal of Materials Chemistry'
_journal_page_first              1047
_journal_paper_doi               10.1039/b008124h
_journal_volume                  11
_journal_year                    2001
_chemical_formula_sum            'C14 H15 N3 O2'
_chemical_formula_weight         257.29
_chemical_melting_point          380.0(10)
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL
_cell_angle_alpha                90.00
_cell_angle_beta                 102.638(9)
_cell_angle_gamma                90.00
_cell_formula_units_Z            6
_cell_length_a                   11.4150(7)
_cell_length_b                   10.6973(5)
_cell_length_c                   16.935(2)
_cell_measurement_reflns_used    250
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      25.08
_cell_measurement_theta_min      1.83
_cell_volume                     2017.8(3)
_computing_cell_refinement       'REFINE (incorporated in MADNES)'
_computing_data_collection       'MADNES (Pflugrath & Messerschmidt,1989)''
_computing_data_reduction        'ABSMAD (Karaulov, 1991)'
_computing_publication_material  'SHELXL-93 (Sheldrick, 1993)'
_computing_structure_refinement  'SHELXL-93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_measurement_device       'Delft Instruments FAST-TV area- detector''
_diffrn_measurement_method       'Darr et al. (1993)'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'rotating anode source'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0693
_diffrn_reflns_av_sigmaI/netI    0.0895
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            9082
_diffrn_reflns_theta_max         25.08
_diffrn_reflns_theta_min         1.83
_diffrn_standards_decay_%        'not measured'
_diffrn_standards_interval_count 'not measured'
_diffrn_standards_interval_time  'not measured'
_diffrn_standards_number         'not measured'
_exptl_absorpt_coefficient_mu    0.087
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.270
_exptl_crystal_description       'thick plate'
_exptl_crystal_F_000             816
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.28
_exptl_crystal_size_min          0.14
_refine_diff_density_max         0.296
_refine_diff_density_min         -0.265
_refine_diff_density_rms         0.066
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   1.13(135)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   0.661
_refine_ls_goodness_of_fit_obs   0.713
_refine_ls_hydrogen_treatment    riding
_refine_ls_matrix_type           full
_refine_ls_number_parameters     520
_refine_ls_number_reflns         5723
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      0.659
_refine_ls_restrained_S_obs      0.713
_refine_ls_R_factor_all          0.0635
_refine_ls_R_factor_obs          0.0501
_refine_ls_shift/esd_max         -0.092
_refine_ls_shift/esd_mean        0.007
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[s²(Fo²)+( 0.1134P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.1288
_refine_ls_wR_factor_obs         0.1186
_reflns_number_observed          4322
_reflns_number_total             5847
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            b008124h.txt
_cod_data_source_block           compound_5
_cod_depositor_comments
;
The following automatic conversions were performed:

'_chemical_melting_point' value '379-381' was changed to '380.0(10)'
- the average value was taken and precision was estimated.

Automatic conversion script
Id: cif_fix_values 1569 2011-02-09 13:29:24Z adriana 
;
_cod_original_sg_symbol_H-M      P21
_cod_database_code               7204935
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_thermal_displace_type
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_group
O1A O 0.9784(2) 0.8731(2) 0.4425(2) 0.0420(6) Uani 1 d . .
O2A O 0.8522(2) 0.7376(2) 0.4702(2) 0.0443(7) Uani 1 d . .
N1A N 0.7356(3) 0.9816(2) 0.6196(2) 0.0321(7) Uani 1 d . .
N2A N 0.7582(3) 1.1640(3) 0.6916(2) 0.0379(7) Uani 1 d . .
H2A H 0.6837(3) 1.1505(3) 0.6957(2) 0.046 Uiso 1 calc R .
N5A N 0.9027(3) 0.8408(3) 0.4799(2) 0.0325(7) Uani 1 d . .
C2A C 0.8038(3) 1.0852(3) 0.6442(2) 0.0287(8) Uani 1 d . .
C3A C 0.9112(3) 1.1081(3) 0.6185(2) 0.0297(8) Uani 1 d . .
H3A H 0.9602(3) 1.1776(3) 0.6390(2) 0.036 Uiso 1 calc R .
C4A C 0.9437(3) 1.0296(3) 0.5639(2) 0.0303(8) Uani 1 d . .
H4A H 1.0140(3) 1.0449(3) 0.5440(2) 0.036 Uiso 1 calc R .
C5A C 0.8716(3) 0.9264(3) 0.5379(2) 0.0284(8) Uani 1 d . .
C6A C 0.7702(3) 0.9052(3) 0.5676(2) 0.0289(8) Uani 1 d . .
H6A H 0.7234(3) 0.8329(3) 0.5501(2) 0.035 Uiso 1 calc R .
C7A C 0.8202(3) 1.2695(3) 0.7368(2) 0.0373(9) Uani 1 d . .
H7A H 0.8763(3) 1.3059(3) 0.7051(2) 0.045 Uiso 1 calc R .
C8A C 0.7283(4) 1.3682(4) 0.7450(3) 0.0565(12) Uani 1 d . .
H8A1 H 0.7690(5) 1.4397(12) 0.7754(15) 0.085 Uiso 1 calc R .
H8A2 H 0.6703(15) 1.3329(8) 0.7738(16) 0.085 Uiso 1 calc R .
H8A3 H 0.6861(19) 1.3960(20) 0.6911(3) 0.085 Uiso 1 calc R .
C9A C 1.0817(5) 1.1588(5) 1.0677(3) 0.0692(14) Uani 1 d . .
H9A1 H 1.1649(10) 1.1880(28) 1.0761(6) 0.104 Uiso 1 calc R .
H9A2 H 1.0810(26) 1.0689(6) 1.0787(6) 0.104 Uiso 1 calc R .
H9A3 H 1.0408(18) 1.2036(25) 1.1044(3) 0.104 Uiso 1 calc R .
C1'A C 0.8926(3) 1.2327(3) 0.8197(2) 0.0330(8) Uani 1 d . .
C2'A C 0.8618(4) 1.1329(3) 0.8631(3) 0.0475(10) Uani 1 d . .
H2'A H 0.7976(4) 1.0795(3) 0.8384(3) 0.057 Uiso 1 calc R .
C3'A C 0.9231(4) 1.1093(4) 0.9420(3) 0.0572(12) Uani 1 d . .
H3'A H 0.8995(4) 1.0401(4) 0.9701(3) 0.069 Uiso 1 calc R .
C4'A C 1.0173(4) 1.1836(4) 0.9808(2) 0.0468(10) Uani 1 d . .
C5'A C 1.0494(4) 1.2807(4) 0.9365(3) 0.0478(10) Uani 1 d . .
H5'A H 1.1156(4) 1.3319(4) 0.9605(3) 0.057 Uiso 1 calc R .
C6'A C 0.9891(3) 1.3060(4) 0.8588(2) 0.0422(9) Uani 1 d . .
H6'A H 1.0135(3) 1.3750(4) 0.8310(2) 0.051 Uiso 1 calc R .
O1B O 1.1504(2) 1.3075(3) 0.7289(2) 0.0459(7) Uani 1 d . .
O2B O 1.2754(2) 1.4132(2) 0.6763(2) 0.0471(7) Uani 1 d . .
N1B N 1.4961(3) 1.1183(3) 0.6812(2) 0.0372(8) Uani 1 d . .
N2B N 1.5453(3) 0.9150(3) 0.7105(2) 0.0353(7) Uani 1 d . .
H2B H 1.6066(3) 0.9304(3) 0.6882(2) 0.042 Uiso 1 calc R .
N5B N 1.2423(3) 1.3149(3) 0.7029(2) 0.0368(7) Uani 1 d . .
C2B C 1.4663(3) 1.0087(3) 0.7113(2) 0.0294(8) Uani 1 d . .
C3B C 1.3609(3) 0.9945(3) 0.7404(2) 0.0306(8) Uani 1 d . .
H3B H 1.3426(3) 0.9171(3) 0.7624(2) 0.037 Uiso 1 calc R .
C4B C 1.2857(3) 1.0935(3) 0.7365(2) 0.0312(8) Uani 1 d . .
H4B H 1.2133(3) 1.0867(3) 0.7553(2) 0.037 Uiso 1 calc R .
C5B C 1.3169(3) 1.2055(3) 0.7045(2) 0.0294(8) Uani 1 d . .
C6B C 1.4211(3) 1.2137(3) 0.6779(2) 0.0353(9) Uani 1 d . .
H6B H 1.4407(3) 1.2908(3) 0.6561(2) 0.042 Uiso 1 calc R .
C7B C 1.5371(3) 0.7907(3) 0.7434(2) 0.0373(9) Uani 1 d . .
H7B H 1.4552(3) 0.7563(3) 0.7208(2) 0.045 Uiso 1 calc R .
C8B C 1.6298(4) 0.7098(4) 0.7143(3) 0.0612(13) Uani 1 d . .
H8B1 H 1.6293(20) 0.6254(9) 0.7367(16) 0.092 Uiso 1 calc R .
H8B2 H 1.7098(6) 0.7466(16) 0.7324(16) 0.092 Uiso 1 calc R .
H8B3 H 1.6097(16) 0.7055(24) 0.6551(3) 0.092 Uiso 1 calc R .
C9B C 1.6199(7) 0.7784(11) 1.0968(4) 0.168(4) Uani 1 d . .
H9B1 H 1.5547(37) 0.8228(61) 1.1141(5) 0.251 Uiso 1 calc R .
H9B2 H 1.6967(33) 0.8181(61) 1.1211(4) 0.251 Uiso 1 calc R .
H9B3 H 1.6211(65) 0.6910(12) 1.1143(5) 0.251 Uiso 1 calc R .
C1'B C 1.5590(3) 0.7908(3) 0.8351(2) 0.0344(9) Uani 1 d . .
C2'B C 1.6045(3) 0.8931(4) 0.8814(2) 0.0446(10) Uani 1 d . .
H2'B H 1.6217(3) 0.9677(4) 0.8558(2) 0.054 Uiso 1 calc R .
C3'B C 1.6251(4) 0.8874(6) 0.9655(3) 0.0705(15) Uani 1 d . .
H3'B H 1.6578(4) 0.9584(6) 0.9963(3) 0.085 Uiso 1 calc R .
C4'B C 1.5998(5) 0.7836(8) 1.0047(3) 0.085(2) Uani 1 d . .
C5'B C 1.5549(5) 0.6809(6) 0.9581(4) 0.083(2) Uani 1 d . .
H5'B H 1.5374(5) 0.6067(6) 0.9841(4) 0.099 Uiso 1 calc R .
C6'B C 1.5350(4) 0.6840(4) 0.8745(3) 0.0588(12) Uani 1 d . .
H6'B H 1.5044(4) 0.6121(4) 0.8440(3) 0.071 Uiso 1 calc R .
O1C O 1.5053(2) 1.4206(3) 0.5463(2) 0.0506(7) Uani 1 d . .
O2C O 1.6210(3) 1.5721(3) 0.5259(2) 0.0554(8) Uani 1 d . .
N1C N 1.8167(3) 1.3479(2) 0.4123(2) 0.0321(7) Uani 1 d . .
N2C N 1.8574(2) 1.1524(3) 0.3688(2) 0.0327(7) Uani 1 d . .
H2C H 1.8466(2) 1.0710(3) 0.3696(2) 0.039 Uiso 1 calc R .
N5C N 1.5907(3) 1.4611(3) 0.5202(2) 0.0374(8) Uani 1 d . .
C2C C 1.7884(3) 1.2249(3) 0.4051(2) 0.0263(8) Uani 1 d . .
C3C C 1.6929(3) 1.1738(3) 0.4354(2) 0.0309(8) Uani 1 d . .
H3C H 1.6747(3) 1.0872(3) 0.4293(2) 0.037 Uiso 1 calc R .
C4C C 1.6272(3) 1.2495(3) 0.4735(2) 0.0319(8) Uani 1 d . .
H4C H 1.5622(3) 1.2173(3) 0.4939(2) 0.038 Uiso 1 calc R .
C5C C 1.6576(3) 1.3751(3) 0.4816(2) 0.0289(8) Uani 1 d . .
C6C C 1.7513(3) 1.4199(3) 0.4505(2) 0.0326(8) Uani 1 d . .
H6C H 1.7703(3) 1.5064(3) 0.4566(2) 0.039 Uiso 1 calc R .
C7C C 1.9483(3) 1.1988(3) 0.3283(2) 0.0332(8) Uani 1 d . .
H7C H 1.9895(3) 1.2708(3) 0.3606(2) 0.040 Uiso 1 calc R .
C8C C 2.0422(3) 1.0979(4) 0.3274(3) 0.0435(10) Uani 1 d . .
H8C1 H 2.1006(13) 1.1280(9) 0.2971(13) 0.065 Uiso 1 calc R .
H8C2 H 2.0029(4) 1.0224(9) 0.3015(13) 0.065 Uiso 1 calc R .
H8C3 H 2.0836(15) 1.0785(17) 0.3831(3) 0.065 Uiso 1 calc R .
C9C C 1.7433(5) 1.3778(5) 0.0017(3) 0.0748(15) Uani 1 d . .
H9C1 H 1.7859(21) 1.3392(26) -0.0365(4) 0.112 Uiso 1 calc R .
H9C2 H 1.7510(28) 1.4689(6) -0.0006(6) 0.112 Uiso 1 calc R .
H9C3 H 1.6583(9) 1.3547(28) -0.0130(8) 0.112 Uiso 1 calc R .
C1'C C 1.8942(3) 1.2464(3) 0.2435(2) 0.0339(9) Uani 1 d . .
C2'C C 1.9248(3) 1.3615(3) 0.2181(2) 0.0399(9) Uani 1 d . .
H2'C H 1.9799(3) 1.4128(3) 0.2543(2) 0.048 Uiso 1 calc R .
C3'C C 1.8761(4) 1.4040(4) 0.1400(3) 0.0503(11) Uani 1 d . .
H3'C H 1.8984(4) 1.4841(4) 0.1240(3) 0.060 Uiso 1 calc R .
C4'C C 1.7969(4) 1.3328(4) 0.0861(3) 0.0491(11) Uani 1 d . .
C5'C C 1.7670(4) 1.2168(5) 0.1114(3) 0.0562(11) Uani 1 d . .
H5'C H 1.7134(4) 1.1648(5) 0.0747(3) 0.067 Uiso 1 calc R .
C6'C C 1.8138(4) 1.1746(4) 0.1895(2) 0.0483(10) Uani 1 d . .
H6'C H 1.7902(4) 1.0954(4) 0.2059(2) 0.058 Uiso 1 calc R .
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 0.0016 '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 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 '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
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C6A N1A C2A 118.1(3) . . ?
C2A N2A C7A 126.3(3) . . ?
O1A N5A O2A 122.8(3) . . ?
O1A N5A C5A 118.6(3) . . ?
O2A N5A C5A 118.7(3) . . ?
N2A C2A N1A 114.9(3) . . ?
N2A C2A C3A 123.5(3) . . ?
N1A C2A C3A 121.5(3) . . ?
C4A C3A C2A 119.2(3) . . ?
C3A C4A C5A 118.4(3) . . ?
C6A C5A C4A 120.1(3) . . ?
C6A C5A N5A 119.7(3) . . ?
C4A C5A N5A 120.2(3) . . ?
N1A C6A C5A 122.5(3) . . ?
N2A C7A C8A 108.7(3) . . ?
N2A C7A C1'A 112.9(3) . . ?
C8A C7A C1'A 110.0(3) . . ?
C2'A C1'A C6'A 116.6(4) . . ?
C2'A C1'A C7A 122.8(3) . . ?
C6'A C1'A C7A 120.4(3) . . ?
C1'A C2'A C3'A 121.1(4) . . ?
C4'A C3'A C2'A 122.0(4) . . ?
C5'A C4'A C3'A 116.5(4) . . ?
C5'A C4'A C9A 122.0(4) . . ?
C3'A C4'A C9A 121.5(4) . . ?
C6'A C5'A C4'A 122.3(4) . . ?
C5'A C6'A C1'A 121.5(4) . . ?
C6B N1B C2B 118.1(3) . . ?
C2B N2B C7B 125.2(3) . . ?
O1B N5B O2B 122.7(3) . . ?
O1B N5B C5B 119.2(3) . . ?
O2B N5B C5B 118.1(3) . . ?
N2B C2B N1B 114.6(3) . . ?
N2B C2B C3B 123.3(3) . . ?
N1B C2B C3B 122.1(3) . . ?
C4B C3B C2B 118.7(3) . . ?
C3B C4B C5B 118.5(3) . . ?
C6B C5B C4B 120.0(3) . . ?
C6B C5B N5B 119.7(3) . . ?
C4B C5B N5B 120.2(3) . . ?
N1B C6B C5B 122.6(3) . . ?
N2B C7B C1'B 112.5(3) . . ?
N2B C7B C8B 106.7(3) . . ?
C1'B C7B C8B 111.1(3) . . ?
C2'B C1'B C6'B 118.2(4) . . ?
C2'B C1'B C7B 122.6(3) . . ?
C6'B C1'B C7B 119.2(4) . . ?
C1'B C2'B C3'B 120.3(4) . . ?
C4'B C3'B C2'B 121.9(5) . . ?
C3'B C4'B C5'B 117.6(5) . . ?
C3'B C4'B C9B 121.9(8) . . ?
C5'B C4'B C9B 120.5(7) . . ?
C4'B C5'B C6'B 121.4(5) . . ?
C1'B C6'B C5'B 120.6(5) . . ?
C6C N1C C2C 117.2(3) . . ?
C2C N2C C7C 124.7(3) . . ?
O1C N5C O2C 122.7(3) . . ?
O1C N5C C5C 118.5(3) . . ?
O2C N5C C5C 118.8(3) . . ?
N2C C2C N1C 116.7(3) . . ?
N2C C2C C3C 121.2(3) . . ?
N1C C2C C3C 122.1(3) . . ?
C4C C3C C2C 119.4(3) . . ?
C3C C4C C5C 118.2(3) . . ?
C6C C5C C4C 119.8(3) . . ?
C6C C5C N5C 118.9(3) . . ?
C4C C5C N5C 121.2(3) . . ?
N1C C6C C5C 123.2(3) . . ?
N2C C7C C1'C 112.1(3) . . ?
N2C C7C C8C 109.9(3) . . ?
C1'C C7C C8C 111.7(3) . . ?
C2'C C1'C C6'C 118.0(4) . . ?
C2'C C1'C C7C 121.1(3) . . ?
C6'C C1'C C7C 120.9(3) . . ?
C1'C C2'C C3'C 120.9(4) . . ?
C4'C C3'C C2'C 121.3(4) . . ?
C3'C C4'C C5'C 117.8(4) . . ?
C3'C C4'C C9C 121.9(4) . . ?
C5'C C4'C C9C 120.4(4) . . ?
C4'C C5'C C6'C 121.2(4) . . ?
C1'C C6'C C5'C 120.8(4) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
O1A N5A 1.228(4) . ?
O2A N5A 1.239(4) . ?
N1A C6A 1.324(4) . ?
N1A C2A 1.365(4) . ?
N2A C2A 1.344(4) . ?
N2A C7A 1.457(4) . ?
N5A C5A 1.442(4) . ?
C2A C3A 1.410(5) . ?
C3A C4A 1.360(5) . ?
C4A C5A 1.390(5) . ?
C5A C6A 1.379(5) . ?
C7A C8A 1.517(5) . ?
C7A C1'A 1.518(5) . ?
C9A C4'A 1.517(6) . ?
C1'A C2'A 1.384(5) . ?
C1'A C6'A 1.395(5) . ?
C2'A C3'A 1.389(6) . ?
C3'A C4'A 1.383(6) . ?
C4'A C5'A 1.378(6) . ?
C5'A C6'A 1.371(6) . ?
O1B N5B 1.225(4) . ?
O2B N5B 1.234(4) . ?
N1B C6B 1.325(4) . ?
N1B C2B 1.352(4) . ?
N2B C2B 1.351(4) . ?
N2B C7B 1.452(5) . ?
N5B C5B 1.445(4) . ?
C2B C3B 1.404(5) . ?
C3B C4B 1.356(5) . ?
C4B C5B 1.393(5) . ?
C5B C6B 1.364(5) . ?
C7B C1'B 1.518(5) . ?
C7B C8B 1.530(5) . ?
C9B C4'B 1.527(8) . ?
C1'B C2'B 1.379(5) . ?
C1'B C6'B 1.380(5) . ?
C2'B C3'B 1.393(6) . ?
C3'B C4'B 1.357(8) . ?
C4'B C5'B 1.384(9) . ?
C5'B C6'B 1.384(7) . ?
O1C N5C 1.233(4) . ?
O2C N5C 1.235(4) . ?
N1C C6C 1.335(4) . ?
N1C C2C 1.353(4) . ?
N2C C2C 1.346(4) . ?
N2C C7C 1.450(4) . ?
N5C C5C 1.441(4) . ?
C2C C3C 1.414(4) . ?
C3C C4C 1.358(5) . ?
C4C C5C 1.386(5) . ?
C5C C6C 1.378(5) . ?
C7C C1'C 1.521(5) . ?
C7C C8C 1.523(5) . ?
C9C C4'C 1.506(6) . ?
C1'C C2'C 1.374(5) . ?
C1'C C6'C 1.379(5) . ?
C2'C C3'C 1.394(6) . ?
C3'C C4'C 1.368(6) . ?
C4'C C5'C 1.380(6) . ?
C5'C C6'C 1.389(6) . ?
