#------------------------------------------------------------------------------
#$Date: 2017-10-14 22:27:35 +0300 (Sat, 14 Oct 2017) $
#$Revision: 202017 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/20/62/7206235.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_7206235
loop_
_publ_author_name
'SeethaLekshmi, Sunil'
'Guru Row, T. N.'
_publ_section_title
;
 Propensity of formation of zipper architecture vs. Lincoln log
 arrangement in solvated molecular complexes of melamine with
 hydroxybenzoic acids
;
_journal_issue                   15
_journal_name_full               CrystEngComm
_journal_page_first              4886
_journal_paper_doi               10.1039/c1ce05179b
_journal_volume                  13
_journal_year                    2011
_chemical_formula_moiety
;
2(C7 H6 O4), 2(C3 H6 N6), 2(C3 H7 N O), 2(H2 O)
;
_chemical_formula_sum            'C13 H18 N7 O6'
_chemical_formula_weight         368.34
_chemical_name_systematic
;
?
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/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                90.000(5)
_cell_angle_beta                 99.437(5)
_cell_angle_gamma                90.000(5)
_cell_formula_units_Z            16
_cell_length_a                   38.011(5)
_cell_length_b                   9.212(5)
_cell_length_c                   20.430(5)
_cell_measurement_reflns_used    8448
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      29.3352
_cell_measurement_theta_min      2.4426
_cell_volume                     7057(4)
_computing_cell_refinement       'CrysAlisPro CCD (Oxford Diffraction, 2009)'
_computing_data_collection       'CrysAlisPro CCD (Oxford Diffraction, 2009)'
_computing_data_reduction        'CrysAlisPro RED (Oxford Diffraction, 2009)'
_computing_molecular_graphics    'XP Suite SHELXTL'
_computing_structure_refinement  'SHELXTL (Sheldrick, 1997)'
_computing_structure_solution    'SHELXTL (Sheldrick, 1990)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Oxford Xcalibur,Eos(Nova) CCD detector'
_diffrn_measurement_method       'ω scan'
_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  0.0515
_diffrn_reflns_av_sigmaI/netI    0.0647
_diffrn_reflns_limit_h_max       45
_diffrn_reflns_limit_h_min       -45
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            34754
_diffrn_reflns_theta_full        25.24
_diffrn_reflns_theta_max         25.24
_diffrn_reflns_theta_min         2.13
_exptl_absorpt_coefficient_mu    0.112
_exptl_absorpt_correction_T_max  0.9900
_exptl_absorpt_correction_T_min  0.9813
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'CrysAlis RED (Oxford Diffraction,2009)'
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.387
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Needle
_exptl_crystal_F_000             3088
_exptl_crystal_size_max          0.17
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.09
_refine_diff_density_max         0.892
_refine_diff_density_min         -0.788
_refine_diff_density_rms         0.070
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   0.972
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     469
_refine_ls_number_reflns         6376
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.972
_refine_ls_R_factor_all          0.1367
_refine_ls_R_factor_gt           0.0784
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1652P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2389
_refine_ls_wR_factor_ref         0.2652
_reflns_number_gt                3172
_reflns_number_total             6376
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c1ce05179b.txt
_cod_data_source_block           3
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from
2010-06-29.

'_exptl_absorpt_correction_type' value 'Multi-scan'
changed to 'multi-scan' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7206235
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'
'-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_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
O12 O 0.26117(7) 0.3030(3) 0.22524(13) 0.0469(7) Uani 1 1 d . . .
H12 H 0.2602 0.2589 0.1901 0.070 Uiso 1 1 calc R . .
O15 O 0.37243(8) 0.6948(3) 0.26013(16) 0.0600(9) Uani 1 1 d . . .
H15 H 0.3724 0.7413 0.2944 0.090 Uiso 1 1 calc R . .
O17A O 0.27935(8) 0.2339(3) 0.11702(13) 0.0508(8) Uani 1 1 d . . .
H17A H 0.2784 0.1886 0.0822 0.076 Uiso 1 1 calc R . .
O17B O 0.32711(8) 0.3260(3) 0.08419(14) 0.0572(8) Uani 1 1 d . . .
C11 C 0.31176(10) 0.4098(4) 0.18566(18) 0.0352(9) Uani 1 1 d . . .
C12 C 0.28886(10) 0.3984(4) 0.23220(18) 0.0347(9) Uani 1 1 d . . .
C13 C 0.29364(11) 0.4877(4) 0.28787(19) 0.0447(11) Uani 1 1 d . . .
H13 H 0.2781 0.4816 0.3185 0.054 Uiso 1 1 calc R . .
C14 C 0.32166(11) 0.5859(4) 0.2975(2) 0.0461(11) Uani 1 1 d . . .
H14 H 0.3249 0.6450 0.3349 0.055 Uiso 1 1 calc R . .
C15 C 0.34480(11) 0.5969(4) 0.2524(2) 0.0449(10) Uani 1 1 d . . .
C16 C 0.30620(11) 0.3185(4) 0.12431(18) 0.0369(9) Uani 1 1 d . . .
C38 C 0.33934(10) 0.5104(4) 0.19622(19) 0.0404(10) Uani 1 1 d . . .
H38A H 0.3544 0.5198 0.1650 0.048 Uiso 1 1 calc R . .
O22 O 0.33781(7) 0.3119(3) 0.43080(13) 0.0505(8) Uani 1 1 d . . .
H22 H 0.3378 0.2622 0.3975 0.076 Uiso 1 1 calc R . .
O25 O 0.45595(9) 0.6659(4) 0.48410(19) 0.0863(12) Uani 1 1 d . . .
H25 H 0.4684 0.6622 0.4550 0.129 Uiso 1 1 calc R . .
O27A O 0.36137(8) 0.2189(3) 0.33000(13) 0.0513(8) Uani 1 1 d . . .
H27A H 0.3615 0.1684 0.2970 0.077 Uiso 1 1 calc R . .
O27B O 0.41303(8) 0.2916(3) 0.30458(14) 0.0575(8) Uani 1 1 d . . .
C21 C 0.39293(10) 0.3943(4) 0.39916(19) 0.0400(10) Uani 1 1 d . . .
C22 C 0.36760(10) 0.3974(4) 0.44081(19) 0.0398(10) Uani 1 1 d . . .
C23 C 0.37177(12) 0.4899(5) 0.4949(2) 0.0483(11) Uani 1 1 d . . .
H23 H 0.3547 0.4921 0.5227 0.058 Uiso 1 1 calc R . .
C24 C 0.40108(13) 0.5784(5) 0.5074(2) 0.0595(13) Uani 1 1 d . . .
H24 H 0.4035 0.6410 0.5436 0.071 Uiso 1 1 calc R . .
C25 C 0.42701(12) 0.5768(5) 0.4677(2) 0.0568(12) Uani 1 1 d . . .
C26 C 0.42293(12) 0.4843(5) 0.4133(2) 0.0533(12) Uani 1 1 d . . .
H26 H 0.4403 0.4820 0.3860 0.064 Uiso 1 1 calc R . .
C27 C 0.38923(12) 0.2960(5) 0.3398(2) 0.0442(10) Uani 1 1 d . . .
N31 N 0.39973(9) 0.1415(4) 0.17912(18) 0.0546(10) Uani 1 1 d . . .
H31A H 0.4133 0.1451 0.1494 0.066 Uiso 1 1 calc R . .
H31B H 0.4047 0.1928 0.2146 0.066 Uiso 1 1 calc R . .
N32 N 0.35132(8) 0.0550(3) 0.22020(15) 0.0390(8) Uani 1 1 d . . .
N33 N 0.30449(9) -0.0359(4) 0.26435(15) 0.0455(9) Uani 1 1 d . . .
H33B H 0.2860 -0.0906 0.2626 0.055 Uiso 1 1 calc R . .
H33A H 0.3114 0.0165 0.2989 0.055 Uiso 1 1 calc R . .
N34 N 0.31188(8) -0.1128(3) 0.16057(15) 0.0381(8) Uani 1 1 d . . .
N35 N 0.32410(9) -0.1894(4) 0.06127(16) 0.0469(9) Uani 1 1 d . . .
H35B H 0.3055 -0.2436 0.0580 0.056 Uiso 1 1 calc R . .
H5B H 0.3369 -0.1891 0.0302 0.056 Uiso 1 1 calc R . .
N36 N 0.36270(9) -0.0240(4) 0.11582(16) 0.0463(9) Uani 1 1 d . . .
C31 C 0.37137(11) 0.0576(4) 0.17035(19) 0.0406(10) Uani 1 1 d . . .
C33 C 0.32217(10) -0.0324(4) 0.21434(18) 0.0340(9) Uani 1 1 d . . .
C35 C 0.33317(10) -0.1059(4) 0.11444(18) 0.0366(9) Uani 1 1 d . . .
N41 N 0.27246(9) 0.5046(4) -0.04862(15) 0.0463(9) Uani 1 1 d . . .
H41B H 0.2902 0.5623 -0.0491 0.056 Uiso 1 1 calc R . .
H41A H 0.2667 0.4432 -0.0803 0.056 Uiso 1 1 calc R . .
N42 N 0.26194(8) 0.6031(3) 0.05020(15) 0.0352(8) Uani 1 1 d . . .
N43 N 0.24844(9) 0.6882(3) 0.14728(15) 0.0434(8) Uani 1 1 d . . .
H43B H 0.2357 0.6900 0.1784 0.052 Uiso 1 1 calc R . .
H43A H 0.2665 0.7453 0.1489 0.052 Uiso 1 1 calc R . .
N44 N 0.21176(8) 0.5098(3) 0.09647(14) 0.0375(8) Uani 1 1 d . . .
N45 N 0.17856(9) 0.3264(4) 0.03986(16) 0.0505(9) Uani 1 1 d . . .
H45A H 0.1648 0.3244 0.0693 0.061 Uiso 1 1 calc R . .
H45B H 0.1748 0.2680 0.0066 0.061 Uiso 1 1 calc R . .
N46 N 0.22612(8) 0.4139(3) -0.00260(14) 0.0372(8) Uani 1 1 d . . .
C41 C 0.25389(10) 0.5104(4) 0.00098(18) 0.0352(9) Uani 1 1 d . . .
C43 C 0.24033(10) 0.5974(4) 0.09687(17) 0.0332(9) Uani 1 1 d . . .
C45 C 0.20553(10) 0.4192(4) 0.04572(18) 0.0364(9) Uani 1 1 d . . .
O51 O 0.4992(2) 0.6748(14) 0.0995(5) 0.248(5) Uani 1 1 d . . .
N24 N 0.45654(14) 0.6576(8) 0.1563(3) 0.115(2) Uani 1 1 d . . .
C51 C 0.4815(3) 0.6222(14) 0.1204(4) 0.158(4) Uani 1 1 d . . .
C52 C 0.4372(5) 0.7875(14) 0.1582(9) 0.369(14) Uani 1 1 d . . .
H52B H 0.4473 0.8613 0.1337 0.553 Uiso 1 1 calc R . .
H52A H 0.4384 0.8180 0.2034 0.553 Uiso 1 1 calc R . .
H21C H 0.4128 0.7716 0.1387 0.553 Uiso 1 1 calc R . .
C53 C 0.4435(2) 0.5411(10) 0.1950(6) 0.178(4) Uani 1 1 d . . .
H53A H 0.4566 0.4537 0.1905 0.267 Uiso 1 1 calc R . .
H53B H 0.4186 0.5246 0.1790 0.267 Uiso 1 1 calc R . .
H20C H 0.4466 0.5688 0.2409 0.267 Uiso 1 1 calc R . .
O61 O 0.37586(9) -0.1388(4) 0.37413(16) 0.0656(9) Uani 1 1 d . . .
N83 N 0.42445(15) -0.0102(7) 0.4172(4) 0.115(2) Uani 1 1 d . . .
C61 C 0.4161(6) -0.0754(12) 0.3700(10) 0.42(2) Uani 1 1 d . . .
C62 C 0.45560(17) 0.0572(8) 0.4408(4) 0.125(3) Uani 1 1 d . . .
C63 C 0.4010(3) -0.009(2) 0.4509(16) 0.53(3) Uani 1 1 d . . .
O91 O 0.45878(9) 0.1600(4) 0.09915(18) 0.0816(11) Uani 1 1 d . . .
O90 O 0.48564(11) 0.2859(7) 0.3098(3) 0.153(2) 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
C12 O12 H12 109.5 . . ?
C15 O15 H15 109.5 . . ?
C16 O17A H17A 109.5 . . ?
C38 C11 C12 119.0(3) . . ?
C38 C11 C16 120.3(3) . . ?
C12 C11 C16 120.7(4) . . ?
O12 C12 C13 117.5(3) . . ?
O12 C12 C11 122.4(3) . . ?
C13 C12 C11 120.0(4) . . ?
C14 C13 C12 119.8(4) . . ?
C14 C13 H13 120.1 . . ?
C12 C13 H13 120.1 . . ?
C15 C14 C13 120.8(4) . . ?
C15 C14 H14 119.6 . . ?
C13 C14 H14 119.6 . . ?
O15 C15 C14 122.1(4) . . ?
O15 C15 C38 118.8(4) . . ?
C14 C15 C38 119.1(4) . . ?
O17B C16 O17A 123.3(4) . . ?
O17B C16 C11 120.5(4) . . ?
O17A C16 C11 116.3(3) . . ?
C15 C38 C11 121.3(4) . . ?
C15 C38 H38A 119.4 . . ?
C11 C38 H38A 119.4 . . ?
C22 O22 H22 109.5 . . ?
C25 O25 H25 109.5 . . ?
C27 O27A H27A 109.5 . . ?
C22 C21 C26 119.0(4) . . ?
C22 C21 C27 121.7(4) . . ?
C26 C21 C27 119.2(4) . . ?
O22 C22 C23 117.2(3) . . ?
O22 C22 C21 122.6(3) . . ?
C23 C22 C21 120.2(4) . . ?
C24 C23 C22 119.9(4) . . ?
C24 C23 H23 120.1 . . ?
C22 C23 H23 120.1 . . ?
C23 C24 C25 121.5(4) . . ?
C23 C24 H24 119.2 . . ?
C25 C24 H24 119.2 . . ?
O25 C25 C24 118.2(4) . . ?
O25 C25 C26 122.9(4) . . ?
C24 C25 C26 118.8(4) . . ?
C25 C26 C21 120.5(4) . . ?
C25 C26 H26 119.7 . . ?
C21 C26 H26 119.7 . . ?
O27B C27 O27A 124.0(4) . . ?
O27B C27 C21 120.4(4) . . ?
O27A C27 C21 115.6(3) . . ?
C31 N31 H31A 120.0 . . ?
C31 N31 H31B 120.0 . . ?
H31A N31 H31B 120.0 . . ?
C33 N32 C31 119.3(3) . . ?
C33 N33 H33B 120.0 . . ?
C33 N33 H33A 120.0 . . ?
H33B N33 H33A 120.0 . . ?
C33 N34 C35 115.1(3) . . ?
C35 N35 H35B 120.0 . . ?
C35 N35 H5B 120.0 . . ?
H35B N35 H5B 120.0 . . ?
C31 N36 C35 114.9(3) . . ?
N31 C31 N36 121.8(4) . . ?
N31 C31 N32 116.9(4) . . ?
N36 C31 N32 121.2(4) . . ?
N33 C33 N34 120.7(4) . . ?
N33 C33 N32 117.4(3) . . ?
N34 C33 N32 121.9(3) . . ?
N35 C35 N34 116.2(3) . . ?
N35 C35 N36 116.3(3) . . ?
N34 C35 N36 127.5(4) . . ?
C41 N41 H41B 120.0 . . ?
C41 N41 H41A 120.0 . . ?
H41B N41 H41A 120.0 . . ?
C41 N42 C43 114.8(3) . . ?
C43 N43 H43B 120.0 . . ?
C43 N43 H43A 120.0 . . ?
H43B N43 H43A 120.0 . . ?
C45 N44 C43 115.0(3) . . ?
C45 N45 H45A 120.0 . . ?
C45 N45 H45B 120.0 . . ?
H45A N45 H45B 120.0 . . ?
C45 N46 C41 117.9(3) . . ?
N42 C41 N41 121.5(4) . . ?
N42 C41 N46 122.8(3) . . ?
N41 C41 N46 115.7(3) . . ?
N43 C43 N44 117.8(3) . . ?
N43 C43 N42 115.6(3) . . ?
N44 C43 N42 126.6(3) . . ?
N44 C45 N45 121.0(3) . . ?
N44 C45 N46 122.9(4) . . ?
N45 C45 N46 116.1(3) . . ?
C51 N24 C52 130.3(9) . . ?
C51 N24 C53 116.9(8) . . ?
C52 N24 C53 112.4(7) . . ?
O51 C51 N24 136.0(15) . . ?
N24 C52 H52B 109.5 . . ?
N24 C52 H52A 109.5 . . ?
H52B C52 H52A 109.5 . . ?
N24 C52 H21C 109.5 . . ?
H52B C52 H21C 109.5 . . ?
H52A C52 H21C 109.5 . . ?
N24 C53 H53A 109.5 . . ?
N24 C53 H53B 109.5 . . ?
H53A C53 H53B 109.5 . . ?
N24 C53 H20C 109.5 . . ?
H53A C53 H20C 109.5 . . ?
H53B C53 H20C 109.5 . . ?
C61 N83 C63 110.9(17) . . ?
C61 N83 C62 130.7(17) . . ?
C63 N83 C62 118.4(17) . . ?
N83 C61 O61 106(2) . . ?
N83 C61 C63 35.9(9) . . ?
O61 C61 C63 70.2(14) . . ?
N83 C63 C61 33.3(10) . . ?
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
O12 C12 1.361(4) . ?
O12 H12 0.8200 . ?
O15 C15 1.374(5) . ?
O15 H15 0.8200 . ?
O17A C16 1.273(5) . ?
O17A H17A 0.8200 . ?
O17B C16 1.234(4) . ?
C11 C38 1.389(5) . ?
C11 C12 1.394(5) . ?
C11 C16 1.496(5) . ?
C12 C13 1.391(5) . ?
C13 C14 1.386(6) . ?
C13 H13 0.9300 . ?
C14 C15 1.379(5) . ?
C14 H14 0.9300 . ?
C15 C38 1.385(5) . ?
C38 H38A 0.9300 . ?
O22 C22 1.367(5) . ?
O22 H22 0.8200 . ?
O25 C25 1.370(5) . ?
O25 H25 0.8200 . ?
O27A C27 1.264(5) . ?
O27A H27A 0.8200 . ?
O27B C27 1.246(5) . ?
C21 C22 1.386(5) . ?
C21 C26 1.401(6) . ?
C21 C27 1.501(5) . ?
C22 C23 1.384(6) . ?
C23 C24 1.370(6) . ?
C23 H23 0.9300 . ?
C24 C25 1.376(6) . ?
C24 H24 0.9300 . ?
C25 C26 1.389(6) . ?
C26 H26 0.9300 . ?
N31 C31 1.315(5) . ?
N31 H31A 0.8600 . ?
N31 H31B 0.8600 . ?
N32 C33 1.359(5) . ?
N32 C31 1.369(5) . ?
N33 C33 1.312(4) . ?
N33 H33B 0.8600 . ?
N33 H33A 0.8600 . ?
N34 C33 1.329(5) . ?
N34 C35 1.341(5) . ?
N35 C35 1.329(5) . ?
N35 H35B 0.8600 . ?
N35 H5B 0.8600 . ?
N36 C31 1.339(5) . ?
N36 C35 1.349(5) . ?
N41 C41 1.328(5) . ?
N41 H41B 0.8600 . ?
N41 H41A 0.8600 . ?
N42 C41 1.317(5) . ?
N42 C43 1.358(4) . ?
N43 C43 1.323(4) . ?
N43 H43B 0.8600 . ?
N43 H43A 0.8600 . ?
N44 C45 1.322(5) . ?
N44 C43 1.352(5) . ?
N45 C45 1.325(5) . ?
N45 H45A 0.8600 . ?
N45 H45B 0.8600 . ?
N46 C45 1.358(4) . ?
N46 C41 1.373(5) . ?
O51 C51 0.983(10) . ?
N24 C51 1.331(11) . ?
N24 C52 1.408(12) . ?
N24 C53 1.468(10) . ?
C52 H52B 0.9600 . ?
C52 H52A 0.9600 . ?
C52 H21C 0.9600 . ?
C53 H53A 0.9600 . ?
C53 H53B 0.9600 . ?
C53 H20C 0.9600 . ?
O61 C61 1.65(2) . ?
N83 C61 1.135(15) . ?
N83 C63 1.21(2) . ?
N83 C62 1.353(8) . ?
C61 C63 1.93(4) . ?
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 ChemSpider 30653792
