#------------------------------------------------------------------------------
#$Date: 2017-10-13 11:42:48 +0300 (Fri, 13 Oct 2017) $
#$Revision: 201978 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/22/88/2228875.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_2228875
loop_
_publ_author_name
'Akkurt, Mehmet'
'Türktekin, Sevim'
'Jarrahpour, Aliasghar'
'Sharghi, Hashem'
'Badrabady, Seid Ali Torabi'
'Aberi, Mahdi'
'Büyükgüngör, Orhan'
_publ_section_title
;
 2-[(E)-(4-Methylphenyl)iminomethyl]-6-(morpholin-4-ylmethyl)phenol
;
_journal_coeditor_code           SI2317
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o147
_journal_page_last               o148
_journal_paper_doi               10.1107/S1600536810052311
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          'C19 H22 N2 O2'
_chemical_formula_moiety         'C19 H22 N2 O2'
_chemical_formula_sum            'C19 H22 N2 O2'
_chemical_formula_weight         310.39
_chemical_name_systematic
;
2-[(E)-(4-Methylphenyl)iminomethyl]-6-(morpholin-4-ylmethyl)phenol
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                99.78(2)
_cell_angle_beta                 109.34(2)
_cell_angle_gamma                115.18(2)
_cell_formula_units_Z            2
_cell_length_a                   9.807(3)
_cell_length_b                   10.091(3)
_cell_length_c                   10.528(3)
_cell_measurement_reflns_used    2924
_cell_measurement_temperature    296
_cell_measurement_theta_max      28.00
_cell_measurement_theta_min      2.16
_cell_volume                     828.7(5)
_computing_cell_refinement       'X-AREA (Stoe & Cie, 2002)'
_computing_data_collection       'X-AREA (Stoe & Cie, 2002)'
_computing_data_reduction        'X-RED32 (Stoe & Cie, 2002)'
_computing_molecular_graphics    'ORTEP-3 (Farrugia, 1997)'
_computing_publication_material  'WinGX (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SIR97 (Altomare et al.,  1999)'
_diffrn_ambient_temperature      296
_diffrn_detector_area_resol_mean 6.67
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device       '2-circle goniometer'
_diffrn_measurement_device_type  'Stoe IPDS 2'
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  'plane graphite'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0264
_diffrn_reflns_av_sigmaI/netI    0.0158
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            15421
_diffrn_reflns_reduction_process
;
;
_diffrn_reflns_theta_full        26.50
_diffrn_reflns_theta_max         26.50
_diffrn_reflns_theta_min         2.20
_exptl_absorpt_coefficient_mu    0.081
_exptl_absorpt_correction_T_max  0.982
_exptl_absorpt_correction_T_min  0.958
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details   '(X-RED32; Stoe & Cie, 2002)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.244
_exptl_crystal_density_method    'Not Measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             332
_exptl_crystal_size_max          0.530
_exptl_crystal_size_mid          0.400
_exptl_crystal_size_min          0.230
_refine_diff_density_max         0.186
_refine_diff_density_min         -0.166
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.082
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     208
_refine_ls_number_reflns         3443
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.082
_refine_ls_R_factor_all          0.0497
_refine_ls_R_factor_gt           0.0415
_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)+(0.0601P)²+0.1054P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1160
_refine_ls_wR_factor_ref         0.1210
_reflns_number_gt                2894
_reflns_number_total             3443
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            si2317.cif
_cod_data_source_block           I
_cod_database_code               2228875
_cod_database_fobs_code          2228875
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,-y,-z
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_thermal_displace_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
O O1 0.68415(12) 0.65889(11) 0.31759(10) 0.0605(3) Uani . . 1.000
O O2 0.25927(15) -0.05310(13) 0.37129(14) 0.0731(4) Uani . . 1.000
N N1 0.70908(14) 0.89705(12) 0.23661(12) 0.0509(3) Uani . . 1.000
N N2 0.39377(13) 0.18806(12) 0.26385(12) 0.0470(3) Uani . . 1.000
C C1 0.80432(16) 1.05345(14) 0.24513(14) 0.0460(4) Uani . . 1.000
C C2 0.90410(18) 1.17249(16) 0.38095(15) 0.0529(4) Uani . . 1.000
C C3 1.00285(17) 1.32583(15) 0.39579(15) 0.0541(4) Uani . . 1.000
C C4 1.00833(16) 1.36570(15) 0.27667(15) 0.0508(4) Uani . . 1.000
C C5 0.90948(17) 1.24557(15) 0.14201(15) 0.0515(4) Uani . . 1.000
C C6 0.80862(16) 1.09138(14) 0.12519(14) 0.0492(4) Uani . . 1.000
C C7 1.1219(2) 1.53245(17) 0.29286(19) 0.0719(5) Uani . . 1.000
C C8 0.56247(17) 0.80217(15) 0.13084(15) 0.0496(4) Uani . . 1.000
C C9 0.46275(16) 0.63836(14) 0.11187(14) 0.0464(4) Uani . . 1.000
C C10 0.52758(16) 0.57282(14) 0.20561(13) 0.0461(4) Uani . . 1.000
C C11 0.43183(16) 0.41315(14) 0.18260(14) 0.0469(4) Uani . . 1.000
C C12 0.27222(17) 0.32268(15) 0.06675(15) 0.0503(4) Uani . . 1.000
C C13 0.20689(17) 0.38570(16) -0.02683(15) 0.0538(4) Uani . . 1.000
C C14 0.30183(17) 0.54185(16) -0.00456(15) 0.0529(4) Uani . . 1.000
C C15 0.51246(18) 0.34623(16) 0.28015(16) 0.0565(4) Uani . . 1.000
C C16 0.48127(18) 0.10773(17) 0.31696(16) 0.0555(5) Uani . . 1.000
C C17 0.3568(2) -0.05472(17) 0.29914(17) 0.0625(5) Uani . . 1.000
C C18 0.1757(2) 0.0270(2) 0.3227(2) 0.0783(7) Uani . . 1.000
C C19 0.2971(2) 0.19116(18) 0.34212(18) 0.0620(5) Uani . . 1.000
H H1 0.72840 0.74990 0.32090 0.0910 Uiso calc R 1.000
H H2 0.90420 1.14840 0.46240 0.0630 Uiso calc R 1.000
H H3 1.06710 1.40420 0.48720 0.0650 Uiso calc R 1.000
H H5 0.91110 1.26940 0.06080 0.0620 Uiso calc R 1.000
H H6 0.74370 1.01320 0.03360 0.0590 Uiso calc R 1.000
H H7A 1.23740 1.56600 0.35230 0.0860 Uiso calc R 1.000
H H7B 1.09230 1.60030 0.33720 0.0860 Uiso calc R 1.000
H H7C 1.10810 1.53690 0.19930 0.0860 Uiso calc R 1.000
H H8 0.51770 0.83940 0.06320 0.0600 Uiso calc R 1.000
H H12 0.20700 0.21690 0.05110 0.0600 Uiso calc R 1.000
H H13 0.09940 0.32250 -0.10420 0.0650 Uiso calc R 1.000
H H14 0.25840 0.58370 -0.06780 0.0630 Uiso calc R 1.000
H H15A 0.60110 0.34430 0.25960 0.0680 Uiso calc R 1.000
H H15B 0.56460 0.41530 0.37980 0.0680 Uiso calc R 1.000
H H16A 0.56130 0.16730 0.41820 0.0670 Uiso calc R 1.000
H H16B 0.54360 0.10120 0.26380 0.0670 Uiso calc R 1.000
H H17A 0.28230 -0.11600 0.19710 0.0750 Uiso calc R 1.000
H H17B 0.41730 -0.10540 0.33660 0.0750 Uiso calc R 1.000
H H18A 0.11260 0.03090 0.37590 0.0940 Uiso calc R 1.000
H H18B 0.09590 -0.03110 0.22120 0.0940 Uiso calc R 1.000
H H19A 0.23530 0.24150 0.30660 0.0740 Uiso calc R 1.000
H H19B 0.37330 0.25170 0.44400 0.0740 Uiso calc R 1.000
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_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
-1 0 0 0.1070
8 1 -1 0.1050
1 4 -4 0.1770
4 -1 0 0.1180
5 1 0 0.0970
1 2 -2 0.1500
1 8 -2 0.2190
1 -7 4 0.2720
-1 3 7 0.2400
3 -4 -1 0.2550
0 -2 5 0.2760
4 -1 -7 0.2900
-1 -2 3 0.2740
1 -6 1 0.2300
-1 -3 -4 0.2550
-2 1 2 0.2890
3 -4 -6 0.2760
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_2
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
C17 O2 C18 . . . 110.04(14) no
C10 O1 H1 . . . 109.00 no
C1 N1 C8 . . . 120.07(13) no
C15 N2 C19 . . . 111.36(13) no
C16 N2 C19 . . . 108.24(13) no
C15 N2 C16 . . . 111.27(14) no
N1 C1 C6 . . . 122.95(12) no
C2 C1 C6 . . . 118.83(13) no
N1 C1 C2 . . . 118.13(12) no
C1 C2 C3 . . . 120.53(13) no
C2 C3 C4 . . . 121.30(13) no
C3 C4 C5 . . . 117.56(14) no
C5 C4 C7 . . . 120.84(14) no
C3 C4 C7 . . . 121.57(13) no
C4 C5 C6 . . . 121.83(13) no
C1 C6 C5 . . . 119.93(13) no
N1 C8 C9 . . . 122.64(14) no
C8 C9 C10 . . . 121.32(13) no
C8 C9 C14 . . . 119.69(13) no
C10 C9 C14 . . . 118.95(13) no
O1 C10 C11 . . . 117.69(13) no
C9 C10 C11 . . . 120.53(13) no
O1 C10 C9 . . . 121.76(13) no
C10 C11 C12 . . . 118.40(13) no
C12 C11 C15 . . . 123.20(13) no
C10 C11 C15 . . . 118.29(13) no
C11 C12 C13 . . . 121.68(14) no
C12 C13 C14 . . . 119.68(15) no
C9 C14 C13 . . . 120.76(14) no
N2 C15 C11 . . . 113.61(14) no
N2 C16 C17 . . . 110.36(15) no
O2 C17 C16 . . . 112.22(15) no
O2 C18 C19 . . . 112.08(17) no
N2 C19 C18 . . . 110.12(15) no
C1 C2 H2 . . . 120.00 no
C3 C2 H2 . . . 120.00 no
C2 C3 H3 . . . 119.00 no
C4 C3 H3 . . . 119.00 no
C4 C5 H5 . . . 119.00 no
C6 C5 H5 . . . 119.00 no
C1 C6 H6 . . . 120.00 no
C5 C6 H6 . . . 120.00 no
C4 C7 H7A . . . 109.00 no
C4 C7 H7B . . . 109.00 no
C4 C7 H7C . . . 109.00 no
H7A C7 H7B . . . 110.00 no
H7A C7 H7C . . . 109.00 no
H7B C7 H7C . . . 109.00 no
N1 C8 H8 . . . 119.00 no
C9 C8 H8 . . . 119.00 no
C11 C12 H12 . . . 119.00 no
C13 C12 H12 . . . 119.00 no
C12 C13 H13 . . . 120.00 no
C14 C13 H13 . . . 120.00 no
C9 C14 H14 . . . 120.00 no
C13 C14 H14 . . . 120.00 no
N2 C15 H15A . . . 109.00 no
N2 C15 H15B . . . 109.00 no
C11 C15 H15A . . . 109.00 no
C11 C15 H15B . . . 109.00 no
H15A C15 H15B . . . 108.00 no
N2 C16 H16A . . . 110.00 no
N2 C16 H16B . . . 110.00 no
C17 C16 H16A . . . 110.00 no
C17 C16 H16B . . . 110.00 no
H16A C16 H16B . . . 108.00 no
O2 C17 H17A . . . 109.00 no
O2 C17 H17B . . . 109.00 no
C16 C17 H17A . . . 109.00 no
C16 C17 H17B . . . 109.00 no
H17A C17 H17B . . . 108.00 no
O2 C18 H18A . . . 109.00 no
O2 C18 H18B . . . 109.00 no
C19 C18 H18A . . . 109.00 no
C19 C18 H18B . . . 109.00 no
H18A C18 H18B . . . 108.00 no
N2 C19 H19A . . . 110.00 no
N2 C19 H19B . . . 110.00 no
C18 C19 H19A . . . 110.00 no
C18 C19 H19B . . . 110.00 no
H19A C19 H19B . . . 108.00 no
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
O1 C10 . . 1.3492(18) no
O2 C17 . . 1.408(3) no
O2 C18 . . 1.419(3) no
O1 H1 . . 0.8200 no
N1 C8 . . 1.277(2) no
N1 C1 . . 1.4189(19) no
N2 C15 . . 1.458(2) no
N2 C16 . . 1.461(2) no
N2 C19 . . 1.454(3) no
C1 C2 . . 1.391(2) no
C1 C6 . . 1.3887(19) no
C2 C3 . . 1.378(2) no
C3 C4 . . 1.391(2) no
C4 C7 . . 1.511(2) no
C4 C5 . . 1.388(2) no
C5 C6 . . 1.383(2) no
C8 C9 . . 1.453(2) no
C9 C10 . . 1.407(2) no
C9 C14 . . 1.395(2) no
C10 C11 . . 1.402(2) no
C11 C15 . . 1.513(2) no
C11 C12 . . 1.383(2) no
C12 C13 . . 1.388(2) no
C13 C14 . . 1.373(2) no
C16 C17 . . 1.501(2) no
C18 C19 . . 1.500(3) no
C2 H2 . . 0.9300 no
C3 H3 . . 0.9300 no
C5 H5 . . 0.9300 no
C6 H6 . . 0.9300 no
C7 H7A . . 0.9600 no
C7 H7B . . 0.9600 no
C7 H7C . . 0.9600 no
C8 H8 . . 0.9300 no
C12 H12 . . 0.9300 no
C13 H13 . . 0.9300 no
C14 H14 . . 0.9300 no
C15 H15A . . 0.9700 no
C15 H15B . . 0.9700 no
C16 H16A . . 0.9700 no
C16 H16B . . 0.9700 no
C17 H17A . . 0.9700 no
C17 H17B . . 0.9700 no
C18 H18A . . 0.9700 no
C18 H18B . . 0.9700 no
C19 H19A . . 0.9700 no
C19 H19B . . 0.9700 no
loop_
_geom_contact_atom_site_label_1
_geom_contact_atom_site_label_2
_geom_contact_distance
_geom_contact_site_symmetry_1
_geom_contact_site_symmetry_2
_geom_contact_publ_flag
O1 N1 2.6261(18) . . no
O2 N2 2.852(2) . . no
O1 H15B 2.5400 . . no
O1 H19B 2.8300 . 2_666 no
O1 H15A 2.8200 . . no
O2 H2 2.7700 . 2_666 no
N1 O1 2.6261(18) . . no
N2 O2 2.852(2) . . no
N1 H1 1.9000 . . no
N2 H12 2.5300 . . no
N2 H6 2.9100 . 2_665 no
C1 C18 3.596(3) . 1_665 no
C8 C12 3.409(3) . 2_665 no
C10 C14 3.432(3) . 2_665 no
C12 C8 3.409(3) . 2_665 no
C12 C19 3.368(2) . . no
C14 C10 3.432(3) . 2_665 no
C18 C1 3.596(3) . 1_445 no
C19 C12 3.368(2) . . no
C1 H16B 2.8600 . 1_565 no
C1 H18A 3.0000 . 1_665 no
C2 H18A 2.9600 . 1_665 no
C2 H16B 3.0300 . 1_565 no
C3 H19A 3.1000 . 1_665 no
C4 H19A 2.9400 . 1_665 no
C5 H14 2.8800 . 2_675 no
C6 H8 2.6600 . . no
C8 H1 2.4200 . . no
C8 H6 2.7300 . . no
C11 H19A 2.8300 . . no
C12 H19A 2.8700 . . no
C19 H12 2.9800 . . no
H1 N1 1.9000 . . no
H1 C8 2.4200 . . no
H2 O2 2.7700 . 2_666 no
H5 H7C 2.3500 . . no
H5 H17A 2.4600 . 2_665 no
H6 C8 2.7300 . . no
H6 H8 2.3300 . . no
H6 N2 2.9100 . 2_665 no
H7C H5 2.3500 . . no
H8 C6 2.6600 . . no
H8 H6 2.3300 . . no
H8 H14 2.4300 . . no
H12 N2 2.5300 . . no
H12 C19 2.9800 . . no
H12 H19A 2.5700 . . no
H13 H18B 2.5000 . 2_555 no
H14 H8 2.4300 . . no
H14 C5 2.8800 . 2_675 no
H15A O1 2.8200 . . no
H15A H16B 2.2800 . . no
H15B O1 2.5400 . . no
H15B H16A 2.5900 . . no
H15B H19B 2.3000 . . no
H16A H15B 2.5900 . . no
H16A H19B 2.4100 . . no
H16B C1 2.8600 . 1_545 no
H16B C2 3.0300 . 1_545 no
H16B H15A 2.2800 . . no
H17A H18B 2.3900 . . no
H17A H5 2.4600 . 2_665 no
H18A C1 3.0000 . 1_445 no
H18A C2 2.9600 . 1_445 no
H18B H17A 2.3900 . . no
H18B H13 2.5000 . 2_555 no
H19A C3 3.1000 . 1_445 no
H19A C4 2.9400 . 1_445 no
H19A C11 2.8300 . . no
H19A C12 2.8700 . . no
H19A H12 2.5700 . . no
H19B H15B 2.3000 . . no
H19B H16A 2.4100 . . no
H19B O1 2.8300 . 2_666 no
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
O1 H1 N1 . 0.82 1.90 2.6261(18) 147 yes
C12 H12 N2 . 0.93 2.53 2.876(2) 102 ?
C19 H19A Cg2 1_445 0.97 2.96 3.732(3) 137 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
C17 O2 C18 C19 . . . . -56.61(19) no
C18 O2 C17 C16 . . . . 56.19(18) no
C8 N1 C1 C6 . . . . -39.4(3) no
C8 N1 C1 C2 . . . . 143.89(18) no
C1 N1 C8 C9 . . . . 176.53(15) no
C19 N2 C15 C11 . . . . -79.79(16) no
C15 N2 C16 C17 . . . . -180.00(13) no
C16 N2 C15 C11 . . . . 159.35(13) no
C15 N2 C19 C18 . . . . 179.71(14) no
C19 N2 C16 C17 . . . . 57.33(16) no
C16 N2 C19 C18 . . . . -57.68(17) no
N1 C1 C6 C5 . . . . -177.41(17) no
N1 C1 C2 C3 . . . . 178.14(17) no
C2 C1 C6 C5 . . . . -0.7(3) no
C6 C1 C2 C3 . . . . 1.3(3) no
C1 C2 C3 C4 . . . . -1.2(3) no
C2 C3 C4 C5 . . . . 0.6(3) no
C2 C3 C4 C7 . . . . -177.38(18) no
C3 C4 C5 C6 . . . . 0.0(3) no
C7 C4 C5 C6 . . . . 177.97(18) no
C4 C5 C6 C1 . . . . 0.1(3) no
N1 C8 C9 C10 . . . . -3.8(3) no
N1 C8 C9 C14 . . . . 178.64(17) no
C10 C9 C14 C13 . . . . 0.8(3) no
C14 C9 C10 C11 . . . . -0.2(2) no
C8 C9 C10 O1 . . . . 0.5(2) no
C14 C9 C10 O1 . . . . 178.05(15) no
C8 C9 C14 C13 . . . . 178.35(16) no
C8 C9 C10 C11 . . . . -177.71(15) no
C9 C10 C11 C12 . . . . -0.6(2) no
O1 C10 C11 C15 . . . . -2.6(2) no
O1 C10 C11 C12 . . . . -178.89(15) no
C9 C10 C11 C15 . . . . 175.65(15) no
C12 C11 C15 N2 . . . . -14.1(2) no
C10 C11 C15 N2 . . . . 169.80(14) no
C15 C11 C12 C13 . . . . -175.25(16) no
C10 C11 C12 C13 . . . . 0.8(3) no
C11 C12 C13 C14 . . . . -0.2(3) no
C12 C13 C14 C9 . . . . -0.6(3) no
N2 C16 C17 O2 . . . . -57.79(17) no
O2 C18 C19 N2 . . . . 58.52(19) no
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 ChemSpider 30656439
