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#$Date: 2024-01-06 11:36:55 +0200 (Sat, 06 Jan 2024) $
#$Revision: 288887 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/15/96/7159674.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_7159674
loop_
_publ_author_name
'Zhu, Ling-Yun'
'Sun, Jing'
'Liu, Dan'
'Yan, Chao-Guo'
_publ_section_title
;
 Construction of diverse spirooxindoles via a domino reaction of
 arylamines, but-2-ynedioates and 3-hydroxy-3-(indol-3-yl)indolin-2-ones.
;
_journal_issue                   47
_journal_name_full               'Organic & biomolecular chemistry'
_journal_page_first              9392
_journal_page_last               9397
_journal_paper_doi               10.1039/d3ob01560b
_journal_volume                  21
_journal_year                    2023
_chemical_formula_moiety         'C35 H29 N3 O5'
_chemical_formula_sum            'C35 H29 N3 O5'
_chemical_formula_weight         571.61
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2023-09-23 deposited with the CCDC.	2023-11-10 downloaded from the CCDC.
;
_cell_angle_alpha                106.892(8)
_cell_angle_beta                 93.952(8)
_cell_angle_gamma                94.154(8)
_cell_formula_units_Z            2
_cell_length_a                   8.803(2)
_cell_length_b                   11.433(3)
_cell_length_c                   18.190(5)
_cell_measurement_reflns_used    5457
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      21.84
_cell_measurement_theta_min      2.35
_cell_volume                     1739.4(8)
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0735
_diffrn_reflns_av_unetI/netI     0.0940
_diffrn_reflns_Laue_measured_fraction_full 0.991
_diffrn_reflns_Laue_measured_fraction_max 0.992
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            24438
_diffrn_reflns_point_group_measured_fraction_full 0.991
_diffrn_reflns_point_group_measured_fraction_max 0.992
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.000
_diffrn_reflns_theta_min         1.890
_exptl_absorpt_coefficient_mu    0.074
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.6364
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.091
_exptl_crystal_description       block
_exptl_crystal_F_000             600
_exptl_crystal_size_max          0.240
_exptl_crystal_size_mid          0.220
_exptl_crystal_size_min          0.200
_refine_diff_density_max         0.235
_refine_diff_density_min         -0.286
_refine_diff_density_rms         0.056
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.018
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     390
_refine_ls_number_reflns         6781
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.018
_refine_ls_R_factor_all          0.1504
_refine_ls_R_factor_gt           0.0732
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1255P)²+0.2249P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1966
_refine_ls_wR_factor_ref         0.2380
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3505
_reflns_number_total             6781
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d3ob01560b2.cif
_cod_data_source_block           5a
_cod_depositor_comments
'Adding full bibliography for 7159670--7159676.cif.'
_cod_original_cell_volume        1739.4(7)
_cod_database_code               7159674
_shelx_shelxl_version_number     2014/7
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.983
_shelx_estimated_absorpt_t_max   0.985
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -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_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.0392(4) 0.3452(4) -0.1881(2) 0.0691(11) Uani 1 1 d . . . . .
H1 H 0.0121 0.2904 -0.1610 0.083 Uiso 1 1 calc R U . . .
C2 C -0.0156(6) 0.3204(5) -0.2640(3) 0.1036(16) Uani 1 1 d . . . . .
H2 H -0.0802 0.2497 -0.2884 0.124 Uiso 1 1 calc R U . . .
C3 C 0.0267(6) 0.4018(5) -0.3038(3) 0.1005(16) Uani 1 1 d . . . . .
H3 H -0.0101 0.3858 -0.3553 0.121 Uiso 1 1 calc R U . . .
C4 C 0.1214(6) 0.5051(5) -0.2686(3) 0.0919(14) Uani 1 1 d . . . . .
H4 H 0.1502 0.5592 -0.2959 0.110 Uiso 1 1 calc R U . . .
C5 C 0.1741(5) 0.5289(3) -0.1928(2) 0.0692(11) Uani 1 1 d . . . . .
H5 H 0.2388 0.5998 -0.1687 0.083 Uiso 1 1 calc R U . . .
C6 C 0.1333(3) 0.4500(3) -0.15147(18) 0.0450(8) Uani 1 1 d . . . . .
C7 C 0.1886(4) 0.4803(3) -0.06739(18) 0.0472(8) Uani 1 1 d . . . . .
H7A H 0.2624 0.5522 -0.0537 0.057 Uiso 1 1 calc R U . . .
H7B H 0.1027 0.5011 -0.0370 0.057 Uiso 1 1 calc R U . . .
C8 C 0.4062(3) 0.3481(3) -0.06527(16) 0.0362(7) Uani 1 1 d . . . . .
C9 C 0.5063(3) 0.3965(3) -0.10626(18) 0.0491(8) Uani 1 1 d . . . . .
H9 H 0.4831 0.4624 -0.1239 0.059 Uiso 1 1 calc R U . . .
C10 C 0.6420(4) 0.3443(3) -0.12039(19) 0.0532(9) Uani 1 1 d . . . . .
H10 H 0.7119 0.3756 -0.1476 0.064 Uiso 1 1 calc R U . . .
C11 C 0.6750(3) 0.2462(3) -0.09452(19) 0.0513(8) Uani 1 1 d . . . . .
H11 H 0.7670 0.2120 -0.1045 0.062 Uiso 1 1 calc R U . . .
C12 C 0.5740(3) 0.1984(3) -0.05429(17) 0.0444(8) Uani 1 1 d . . . . .
H12 H 0.5965 0.1314 -0.0377 0.053 Uiso 1 1 calc R U . . .
C13 C 0.4394(3) 0.2500(2) -0.03855(15) 0.0350(7) Uani 1 1 d . . . . .
C14 C 0.3067(3) 0.2178(3) 0.00430(16) 0.0353(7) Uani 1 1 d . . . . .
C15 C 0.1897(3) 0.3041(3) -0.01218(16) 0.0354(7) Uani 1 1 d . . . . .
C16 C 0.1194(3) -0.0907(3) -0.1128(2) 0.0490(8) Uani 1 1 d . . . . .
C17 C 0.0555(4) -0.1719(3) -0.1827(3) 0.0682(11) Uani 1 1 d . . . . .
H17 H 0.0052 -0.2476 -0.1851 0.082 Uiso 1 1 calc R U . . .
C18 C 0.0692(5) -0.1364(4) -0.2478(3) 0.0867(13) Uani 1 1 d . . . . .
H18 H 0.0277 -0.1895 -0.2951 0.104 Uiso 1 1 calc R U . . .
C19 C 0.1427(5) -0.0241(4) -0.2455(2) 0.0787(12) Uani 1 1 d . . . . .
H19 H 0.1498 -0.0033 -0.2910 0.094 Uiso 1 1 calc R U . . .
C20 C 0.2051(4) 0.0567(3) -0.17696(19) 0.0599(9) Uani 1 1 d . . . . .
H20 H 0.2551 0.1318 -0.1758 0.072 Uiso 1 1 calc R U . . .
C21 C 0.1931(3) 0.0255(3) -0.10895(18) 0.0426(7) Uani 1 1 d . . . . .
C22 C 0.2383(3) 0.0856(3) -0.02896(16) 0.0357(7) Uani 1 1 d . . . . .
C23 C 0.1916(3) 0.0074(3) 0.01015(19) 0.0428(8) Uani 1 1 d . . . . .
H23 H 0.2039 0.0241 0.0635 0.051 Uiso 1 1 calc R U . . .
C24 C 0.5160(4) 0.2264(3) 0.19612(19) 0.0543(9) Uani 1 1 d . . . . .
H24 H 0.5927 0.1859 0.2130 0.065 Uiso 1 1 calc R U . . .
C25 C 0.4665(3) 0.1937(3) 0.11955(18) 0.0476(8) Uani 1 1 d . . . . .
H25 H 0.5089 0.1300 0.0854 0.057 Uiso 1 1 calc R U . . .
C26 C 0.3538(3) 0.2534(3) 0.09103(17) 0.0387(7) Uani 1 1 d . . . . .
C27 C 0.2925(3) 0.3461(3) 0.14465(18) 0.0452(8) Uani 1 1 d . . . . .
H27 H 0.2162 0.3872 0.1279 0.054 Uiso 1 1 calc R U . . .
C28 C 0.3416(4) 0.3790(3) 0.22205(19) 0.0552(9) Uani 1 1 d . . . . .
H28 H 0.2991 0.4423 0.2566 0.066 Uiso 1 1 calc R U . . .
C29 C 0.4534(4) 0.3190(3) 0.24888(19) 0.0524(9) Uani 1 1 d . . . . .
C30 C 0.5603(4) 0.2874(4) 0.3701(2) 0.0628(10) Uani 1 1 d . . . . .
C31 C 0.5092(6) 0.1531(4) 0.3474(2) 0.0737(11) Uani 1 1 d . . . . .
C32 C 0.3100(7) 0.0002(4) 0.2844(4) 0.146(2) Uani 1 1 d . . . . .
H32A H 0.3813 -0.0431 0.2515 0.220 Uiso 1 1 calc R U . . .
H32B H 0.2126 -0.0078 0.2553 0.220 Uiso 1 1 calc R U . . .
H32C H 0.2987 -0.0339 0.3264 0.220 Uiso 1 1 calc R U . . .
C33 C 0.6514(5) 0.3336(4) 0.4370(2) 0.0753(11) Uani 1 1 d . . . . .
H33 H 0.6826 0.2791 0.4630 0.090 Uiso 1 1 calc R U . . .
C34 C 0.7023(5) 0.4600(4) 0.4699(2) 0.0741(11) Uani 1 1 d . . . . .
C35 C 0.8565(6) 0.6086(5) 0.5699(3) 0.1140(18) Uani 1 1 d . . . . .
H35A H 0.7734 0.6561 0.5874 0.171 Uiso 1 1 calc R U . . .
H35B H 0.9071 0.6406 0.5338 0.171 Uiso 1 1 calc R U . . .
H35C H 0.9279 0.6130 0.6132 0.171 Uiso 1 1 calc R U . . .
N1 N 0.2589(3) 0.3810(2) -0.04716(14) 0.0405(6) Uani 1 1 d . . . . .
N2 N 0.1239(3) -0.0995(2) -0.04014(17) 0.0489(7) Uani 1 1 d . . . . .
H2A H 0.0894 -0.1628 -0.0277 0.059 Uiso 1 1 calc R U . . .
N3 N 0.5034(4) 0.3572(3) 0.32855(16) 0.0695(9) Uani 1 1 d . . . . .
H3A H 0.4967 0.4330 0.3531 0.083 Uiso 1 1 calc R U . . .
O1 O 0.0567(2) 0.30480(18) 0.00362(12) 0.0460(5) Uani 1 1 d . . . . .
O2 O 0.5857(4) 0.0777(3) 0.35966(19) 0.1092(11) Uani 1 1 d . . . . .
O3 O 0.3663(4) 0.1291(3) 0.31475(17) 0.0873(9) Uani 1 1 d . . . . .
O4 O 0.6644(4) 0.5411(3) 0.44449(16) 0.0952(10) Uani 1 1 d . . . . .
O5 O 0.7982(4) 0.4829(3) 0.53307(17) 0.1029(10) Uani 1 1 d . . . . .
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
C6 C1 C2 120.8(4) . . ?
C6 C1 H1 119.6 . . ?
C2 C1 H1 119.6 . . ?
C1 C2 C3 119.1(4) . . ?
C1 C2 H2 120.4 . . ?
C3 C2 H2 120.4 . . ?
C4 C3 C2 120.7(4) . . ?
C4 C3 H3 119.6 . . ?
C2 C3 H3 119.6 . . ?
C3 C4 C5 119.4(4) . . ?
C3 C4 H4 120.3 . . ?
C5 C4 H4 120.3 . . ?
C4 C5 C6 121.2(4) . . ?
C4 C5 H5 119.4 . . ?
C6 C5 H5 119.4 . . ?
C1 C6 C5 118.7(3) . . ?
C1 C6 C7 121.1(3) . . ?
C5 C6 C7 120.2(3) . . ?
N1 C7 C6 113.8(2) . . ?
N1 C7 H7A 108.8 . . ?
C6 C7 H7A 108.8 . . ?
N1 C7 H7B 108.8 . . ?
C6 C7 H7B 108.8 . . ?
H7A C7 H7B 107.7 . . ?
C9 C8 C13 121.6(3) . . ?
C9 C8 N1 128.5(3) . . ?
C13 C8 N1 109.8(2) . . ?
C8 C9 C10 118.0(3) . . ?
C8 C9 H9 121.0 . . ?
C10 C9 H9 121.0 . . ?
C11 C10 C9 120.7(3) . . ?
C11 C10 H10 119.7 . . ?
C9 C10 H10 119.7 . . ?
C12 C11 C10 120.7(3) . . ?
C12 C11 H11 119.6 . . ?
C10 C11 H11 119.6 . . ?
C11 C12 C13 119.6(3) . . ?
C11 C12 H12 120.2 . . ?
C13 C12 H12 120.2 . . ?
C12 C13 C8 119.3(3) . . ?
C12 C13 C14 131.5(3) . . ?
C8 C13 C14 109.1(2) . . ?
C22 C14 C13 113.0(2) . . ?
C22 C14 C26 113.1(2) . . ?
C13 C14 C26 110.6(2) . . ?
C22 C14 C15 109.2(2) . . ?
C13 C14 C15 100.6(2) . . ?
C26 C14 C15 109.6(2) . . ?
O1 C15 N1 124.8(3) . . ?
O1 C15 C14 126.4(3) . . ?
N1 C15 C14 108.8(2) . . ?
N2 C16 C17 131.0(3) . . ?
N2 C16 C21 107.7(3) . . ?
C17 C16 C21 121.3(3) . . ?
C18 C17 C16 117.5(4) . . ?
C18 C17 H17 121.3 . . ?
C16 C17 H17 121.3 . . ?
C17 C18 C19 122.3(4) . . ?
C17 C18 H18 118.9 . . ?
C19 C18 H18 118.9 . . ?
C20 C19 C18 120.6(4) . . ?
C20 C19 H19 119.7 . . ?
C18 C19 H19 119.7 . . ?
C19 C20 C21 119.4(3) . . ?
C19 C20 H20 120.3 . . ?
C21 C20 H20 120.3 . . ?
C20 C21 C16 118.9(3) . . ?
C20 C21 C22 135.1(3) . . ?
C16 C21 C22 106.0(3) . . ?
C23 C22 C21 106.9(3) . . ?
C23 C22 C14 127.6(3) . . ?
C21 C22 C14 125.1(2) . . ?
C22 C23 N2 110.0(3) . . ?
C22 C23 H23 125.0 . . ?
N2 C23 H23 125.0 . . ?
C25 C24 C29 120.8(3) . . ?
C25 C24 H24 119.6 . . ?
C29 C24 H24 119.6 . . ?
C24 C25 C26 121.8(3) . . ?
C24 C25 H25 119.1 . . ?
C26 C25 H25 119.1 . . ?
C27 C26 C25 116.7(3) . . ?
C27 C26 C14 123.2(3) . . ?
C25 C26 C14 120.1(3) . . ?
C28 C27 C26 121.7(3) . . ?
C28 C27 H27 119.2 . . ?
C26 C27 H27 119.2 . . ?
C27 C28 C29 120.6(3) . . ?
C27 C28 H28 119.7 . . ?
C29 C28 H28 119.7 . . ?
C28 C29 C24 118.4(3) . . ?
C28 C29 N3 119.0(3) . . ?
C24 C29 N3 122.5(3) . . ?
N3 C30 C33 123.6(4) . . ?
N3 C30 C31 119.6(3) . . ?
C33 C30 C31 116.4(4) . . ?
O2 C31 O3 124.2(4) . . ?
O2 C31 C30 124.0(4) . . ?
O3 C31 C30 111.7(4) . . ?
O3 C32 H32A 109.5 . . ?
O3 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
O3 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C30 C33 C34 124.1(4) . . ?
C30 C33 H33 118.0 . . ?
C34 C33 H33 118.0 . . ?
O4 C34 O5 121.6(4) . . ?
O4 C34 C33 124.9(4) . . ?
O5 C34 C33 113.5(4) . . ?
O5 C35 H35A 109.5 . . ?
O5 C35 H35B 109.5 . . ?
H35A C35 H35B 109.5 . . ?
O5 C35 H35C 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
C15 N1 C8 111.0(2) . . ?
C15 N1 C7 125.0(2) . . ?
C8 N1 C7 123.9(2) . . ?
C16 N2 C23 109.3(3) . . ?
C16 N2 H2A 125.3 . . ?
C23 N2 H2A 125.3 . . ?
C30 N3 C29 126.9(3) . . ?
C30 N3 H3A 116.6 . . ?
C29 N3 H3A 116.6 . . ?
C31 O3 C32 116.1(4) . . ?
C34 O5 C35 117.2(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
C1 C6 1.371(5) . ?
C1 C2 1.372(6) . ?
C1 H1 0.9300 . ?
C2 C3 1.381(6) . ?
C2 H2 0.9300 . ?
C3 C4 1.358(6) . ?
C3 H3 0.9300 . ?
C4 C5 1.366(5) . ?
C4 H4 0.9300 . ?
C5 C6 1.376(5) . ?
C5 H5 0.9300 . ?
C6 C7 1.504(4) . ?
C7 N1 1.457(4) . ?
C7 H7A 0.9700 . ?
C7 H7B 0.9700 . ?
C8 C9 1.378(4) . ?
C8 C13 1.387(4) . ?
C8 N1 1.410(3) . ?
C9 C10 1.382(4) . ?
C9 H9 0.9300 . ?
C10 C11 1.378(4) . ?
C10 H10 0.9300 . ?
C11 C12 1.370(4) . ?
C11 H11 0.9300 . ?
C12 C13 1.373(4) . ?
C12 H12 0.9300 . ?
C13 C14 1.529(4) . ?
C14 C22 1.517(4) . ?
C14 C26 1.529(4) . ?
C14 C15 1.549(4) . ?
C15 O1 1.225(3) . ?
C15 N1 1.360(4) . ?
C16 N2 1.353(4) . ?
C16 C17 1.391(5) . ?
C16 C21 1.416(4) . ?
C17 C18 1.368(6) . ?
C17 H17 0.9300 . ?
C18 C19 1.383(6) . ?
C18 H18 0.9300 . ?
C19 C20 1.369(5) . ?
C19 H19 0.9300 . ?
C20 C21 1.392(4) . ?
C20 H20 0.9300 . ?
C21 C22 1.431(4) . ?
C22 C23 1.353(4) . ?
C23 N2 1.362(4) . ?
C23 H23 0.9300 . ?
C24 C25 1.364(4) . ?
C24 C29 1.383(5) . ?
C24 H24 0.9300 . ?
C25 C26 1.397(4) . ?
C25 H25 0.9300 . ?
C26 C27 1.386(4) . ?
C27 C28 1.377(4) . ?
C27 H27 0.9300 . ?
C28 C29 1.379(4) . ?
C28 H28 0.9300 . ?
C29 N3 1.415(4) . ?
C30 N3 1.347(4) . ?
C30 C33 1.355(5) . ?
C30 C31 1.495(6) . ?
C31 O2 1.193(5) . ?
C31 O3 1.327(5) . ?
C32 O3 1.451(5) . ?
C32 H32A 0.9600 . ?
C32 H32B 0.9600 . ?
C32 H32C 0.9600 . ?
C33 C34 1.419(6) . ?
C33 H33 0.9300 . ?
C34 O4 1.208(5) . ?
C34 O5 1.327(5) . ?
C35 O5 1.436(5) . ?
C35 H35A 0.9600 . ?
C35 H35B 0.9600 . ?
C35 H35C 0.9600 . ?
N2 H2A 0.8600 . ?
N3 H3A 0.8600 . ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
N2 H2A O1 0.86 2.16 2.998(3) 164.3 2
N3 H3A O4 0.86 2.16 2.731(4) 123.3 .
