#------------------------------------------------------------------------------
#$Date: 2025-08-18 23:52:38 +0100 (Mon, 18 Aug 2025) $
#$Revision: 301791 $
#$URL: svn://www.crystallography.net/cod/cif/2/00/03/2000320.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_2000320
loop_
_publ_author_name
'G\/l\'owka, M. L.'
'Codding, P. W.'
_publ_section_title
;Structure of
 <i>N</i>-[4-hydroxy-3,5-bis(1-pyrrolidinylmethyl)phenyl]-<i>N</i>'-(4-methoxyphenyl)urea
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1038
_journal_page_last               1040
_journal_paper_doi               10.1107/S010827019001023X
_journal_volume                  47
_journal_year                    1991
_chemical_formula_sum            'C24 H32 N4 O3'
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_audit_creation_method           'IUCr CIFGEN early version'
_cell_angle_alpha                90
_cell_angle_beta                 101.670(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   15.7400(10)
_cell_length_b                   17.279(3)
_cell_length_c                   8.757(2)
_cell_volume                     2332.4(7)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_crystal_density_diffrn    1.209
_exptl_crystal_F_000             912
_cod_data_source_file            mu0210.cif
_cod_data_source_block           mu0210a
_cod_depositor_comments
;
 Updating space group information and adding the symmetry operation list.

 Antanas Vaitkus,
 2018-06-15
;
_cod_original_cell_volume        2332.4
_cod_original_sg_symbol_H-M      P21/c
_cod_original_formula_sum        C24H32N4O3
_cod_database_code               2000320
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x,y+1/2,-z+1/2
3 -x,-y,-z
4 x,-y+1/2,z+1/2
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C(1) -.1945(3) .7396(3) .02820(5)
C(2) -.2610(3) .7014(3) -.07240(5)
C(3) -.2763(3) .6252(3) -.04820(5)
O(3) -.3390(2) .5815(2) -.14390(5)
C(4) -.2291(3) .5866(3) .07850(6)
C(5) -.1624(3) .6242(3) .17620(5)
C(6) -.1453(2) .7014(3) .15240(4)
N(7) -.0756(2) .7389(3) .25640(4)
N(8) .0581(2) .7937(2) .32810(4)
O(8) -.0079(2) .7861(2) .07190(3)
C(8) -.0084(3) .7737(2) .21050(4)
C(9) .1399(2) .8212(2) .30980(4)
C(10) .2130(3) .7961(3) .41320(5)
C(11) .2950(3) .8202(3) .39980(5)
C(12) .3033(3) .8713(3) .28040(5)
O(12) .3834(2) .8960(2) .26210(4)
C(13) .2297(3) .8968(2) .17380(5)
C(14) .1494(3) .8715(3) .19110(5)
C(15) .2399(4) .9529(4) .04740(7)
N(16) .1623(3) .9619(3) -.07370(5)
C(17) .1543(5) .9087(5) -.19370(11)
C(18) .0888(5) .9427(4) -.33400(7)
C(19) .0782(5) 1.0222(5) -.28710(9)
C(20) .1448(7) 1.0359(5) -.14330(10)
C(21) .3757(3) .7875(3) .50510(7)
N(22) .4401(2) .8470(2) .55990(5)
C(23) .5242(3) .8127(4) .64180(8)
C(24) .5693(5) .8785(6) .73770(10)
C(25) .4973(5) .9318(6) .76330(14)
C(26) .4154(4) .9005(4) .67020(7)
C(30) -.3804(4) .6143(5) -.28920(9)
H(1) -.1804 .8003 .0121
H(2) -.2995 .7366 -.1625
H(4) -.2378 .5258 .1024
H(5) -.1197 .5923 .2673
H(7) -.071(2) .724(2) .344(5)
H(8) .055(2) .779(2) .419(5)
H(10) .2157 .7616 .5172
H(12) .427(4) .882(3) .382(8)
H(14) .0918 .8926 .1130
H(151) .2912 .9287 -.0044
H(152) .2571 1.0108 .0869
H(171) .2020 .9316 -.2559
H(172) .1663 .8483 -.1708
H(181) .0381 .9085 -.3031
H(182) .0918 .9314 -.4556
H(191) .0868 1.0802 -.3289
H(192) .0165 1.0182 -.2531
H(201) .1303 1.0821 -.0691
H(202) .2125 1.0368 -.1472
H(211) .4015 .7431 .4405
H(212) .3618 .7628 .6110
H(231) .5147 .7601 .7037
H(232) .5584 .7997 .5506
H(241) .6248 .9103 .7110
H(242) .5875 .8530 .8506
H(251) .4893 .9793 .6818
H(252) .4842 .9507 .8731
H(261) .3620 .9370 .6160
H(262) .3901 .8535 .7309
H(301) -.4193 .5649 -.3353
H(302) -.3610 .6454 -.3837
H(303) -.4180 .6521 -.2302
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 PubChem 139053284