data_2005076
_journal_name_full  'Acta Crystallographica'
_journal_year      1996
_journal_volume    'C52'
_journal_page_first     1795
_journal_page_last     1797
_publ_section_title
;
A Diaza Analogue of Benzo-15-crown-5
;
_chemical_formula_sum     'C14 H22 N2 O3'
_chemical_formula_weight     266.34
_symmetry_cell_setting    'monoclinic'
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
_symmetry_space_group_name_H-M     'P 21/n'
_cell_length_a     8.569(3)
_cell_length_b     17.316(6)
_cell_length_c     9.968(4)
_cell_angle_alpha     90.00
_cell_angle_beta     109.02(2)
_cell_angle_gamma     90.00
_cell_volume     1398.3(9)
_cell_formula_units_Z     4
_exptl_crystal_density_diffrn     1.265
_cell_measurement_temperature     240(2)
loop_
_atom_site_label
_atom_site_occupancy
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
N1 1  .2993(2)  .31373(10)  .5145(2)  .0373(5)
H1 1  .295(3)    .3583(14)  .474(3)    .045
C2 1  .1866(3)  .26024(12)  .4171(2)  .0386(5)
H2A 1  .0725(3)  .27216(12)  .4105(2)  .046
H2B 1  .2110(3)  .20719(12)  .4519(2)  .046
C3 1  .2074(3)  .26801(12)  .2730(2)  .0408(5)
H3A 1  .3167(3)  .24882(12)  .2777(2)  .049
H3B 1  .1243(3)  .23632(12)  .2042(2)  .049
O4 1  .1906(2)  .34625(8)  .22644(14)  .0395(4)
C5 1  .0247(3)  .37202(14)  .1725(2)  .0458(6)
H5A 1  -.0383(3)  .35187(14)  .2311(2)  .055
H5B 1  -.0266(3)  .35317(14)  .0753(2)  .055
C6 1  .0232(3)  .45810(14)  .1741(2)  .0454(6)
H6A 1  .0936(3)  .47823(14)  .1219(2)  .055
H6B 1  -.0894(3)  .47709(14)  .1282(2)  .055
O7 1  .0825(2)  .48365(8)  .31695(14)  .0432(4)
C8 1  .0920(3)  .56527(12)  .3275(3)  .0468(6)
H8A 1  -.0179(3)  .58777(12)  .2845(3)  .056
H8B 1  .1642(3)  .58500(12)  .2767(3)  .056
C9 1  .1591(3)  .58745(14)  .4803(3)  .0506(6)
H9A 1  .1508(3)  .64349(14)  .4900(3)  .061
H9B 1  .0947(3)  .56244(14)  .5333(3)  .061
O10 1  .3267(2)  .56419(10)  .5361(2)  .0498(5)
C11 1  .3888(3)  .56084(13)  .6865(2)  .0479(6)
H11A 1  .3029(3)  .54241(13)  .7238(2)  .057
H11B 1  .4240(3)  .61228(13)  .7257(2)  .057
C12 1  .5334(3)  .50603(12)  .7275(2)  .0396(5)
H12A 1  .6153(3)  .52409(12)  .6853(2)  .048
H12B 1  .5850(3)  .50711(12)  .8309(2)  .048
N13 1  .4893(2)  .42747(10)  .6833(2)  .0393(5)
H13 1  .505(3)    .4161(14)  .604(3)    .047
C14 1  .3892(2)  .38239(10)  .7370(2)  .0313(5)
C15 1  .3850(3)  .39198(12)  .8740(2)  .0389(5)
H15 1  .4454(3)  .43249(12)  .9301(2)  .047
C16 1  .2935(3)  .34297(13)  .9302(2)  .0424(6)
H16 1  .2921(3)  .35057(13) 1.0232(2)  .051
C17 1  .2052(3)  .28340(12)  .8493(2)  .0412(5)
H17 1  .1458(3)  .24923(12)  .8879(2)  .049
C18 1  .2037(3)  .27377(11)  .7106(2)  .0370(5)
H18 1  .1410(3)  .23367(11)  .6551(2)  .044
C19 1  .2939(2)  .32265(11)  .6525(2)  .0318(5)