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#$Date: 2022-09-28 18:08:17 +0300 (Wed, 28 Sep 2022) $
#$Revision: 278247 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/00/10/2001060.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_2001060
loop_
_publ_author_name
'Gessmann, R.'
'Petratos, K.'
'Hamodrakas, S. J.'
'Tsitsa, P.'
'Antoniadou-Vyza, E.'
_publ_section_title
;
 Structure of
 2-amino-6-dimethylamino-4-(tricyclo[3.3.1.1^3,7^]dec-1-yl)-1,3,5-triazine
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              347
_journal_page_last               350
_journal_paper_doi               10.1107/S0108270191010235
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         'C15 H23 N5'
_chemical_formula_sum            'C15 H23 N5'
_chemical_formula_weight         273.4
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                104.64(4)
_cell_angle_beta                 91.61(7)
_cell_angle_gamma                104.88(5)
_cell_formula_units_Z            2
_cell_length_a                   6.907(6)
_cell_length_b                   10.260(5)
_cell_length_c                   10.619(2)
_cell_volume                     700.2(8)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.54184
_exptl_absorpt_coefficient_mu    0.648
_exptl_crystal_density_diffrn    1.296
_exptl_crystal_density_meas      1.295
_exptl_crystal_F_000             296
_cod_data_source_file            mu0281.cif
_cod_data_source_block           mu0281a
_cod_original_cell_volume        700.2(14)
_cod_database_code               2001060
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
N(1) .5012(5) .3517(3) .8475(3)
C(2) .6784(6) .3989(4) .9158(3)
N(3) .7310(4) .3770(3) 1.0315(3)
C(4) .5751(5) .2973(4) 1.0763(3)
N(5) .3917(5) .2451(3) 1.0175(3)
C(6) .3584(6) .2729(4) .9030(3)
N(7) .8279(5) .4789(3) .8640(3)
N(8) .1734(5) .2219(3) .8400(3)
C(9) .6086(6) .2654(4) 1.2054(3)
C(10) .5481(6) .1064(4) 1.1844(4)
C(11) .8245(6) .3246(4) 1.2694(4)
C(12) .4711(6) .3285(4) 1.3014(3)
C(13) .5651(7) .0692(4) 1.3145(4)
C(14) .7836(7) .1295(4) 1.3758(4)
C(15) .8450(6) .2862(4) 1.3987(4)
C(16) .7070(7) .3498(4) 1.4917(4)
C(17) .4902(6) .2912(4) 1.4309(4)
C(18) .4294(6) .1333(4) 1.4077(4)
C(19) .1270(6) .2447(5) .7154(4)
C(20) .0090(6) .1385(4) .8952(4)
H71 .972(7) .519(4) .908(4)
H72 .775(7) .524(5) .799(5)
H101 .405(5) .077(3) 1.149(3)
H102 .775(7) .524(5) .799(5)
H111 .866(5) .430(3) 1.276(3)
H112 .906(5) .286(4) 1.212(4)
H121 .334(7) .298(5) 1.255(5)
H122 .493(5) .434(3) 1.312(3)
H13 .529(5) -.037(4) 1.306(4)
H141 .868(6) .082(4) 1.311(4)
H142 .789(6) .102(4) 1.464(4)
H15 .998(6) .318(4) 1.438(4)
H161 .722(5) .323(4) 1.575(4)
H162 .740(7) .468(4) 1.513(4)
H17 .399(6) .341(4) 1.488(4)
H181 .450(5) .107(3) 1.495(3)
H182 .292(6) .103(4) 1.372(4)
H191A .2200(10) .199(6) .655(6)
H192A .0000(10) .234(6) .681(6)
H193A .155(9) .358(6) .718(6)
H191B .0000(10) .294(6) .731(6)
H192B .2700(10) .315(8) .682(8)
H193B .1100(10) .174(7) .645(7)
H201A .0200(10) .167(6) .999(6)
H202A -.1300(10) .163(7) .862(7)
H203A .0300(10) .032(7) .890(7)
H201B .0100(10) .099(7) .971(6)
H202B -.0600(10) .065(8) .826(8)
H203B -.0980 .2060 .9390
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
N(1) C(2) 1.314(6)
N(1) C(6) 1.356(6)
C(2) N(3) 1.359(6)
C(2) N(7) 1.367(6)
N(3) C(4) 1.352(6)
C(4) N(5) 1.312(6)
C(4) C(9) 1.513(6)
N(5) C(6) 1.344(6)
C(6) N(8) 1.336(6)
N(8) C(19) 1.442(7)
N(8) C(20) 1.468(7)
C(9) C(10) 1.532(7)
C(9) C(11) 1.524(7)
C(9) C(12) 1.548(7)
C(10) C(13) 1.533(7)
C(11) C(15) 1.533(7)
C(12) C(17) 1.528(7)
C(13) C(14) 1.532(8)
C(13) C(18) 1.527(8)
C(14) C(15) 1.501(7)
C(15) C(16) 1.535(8)
C(16) C(17) 1.519(8)
C(17) C(18) 1.518(7)
