data_2004738
_journal_name_full  'Acta Crystallographica'
_journal_year      1996
_journal_volume    'C52'
_journal_page_first     1000
_journal_page_last     1002
_publ_section_title
;
1-(4-Nitrophenyl)-4-piperidinol
;
_chemical_formula_iupac     'C11 H14 N2 O3'
_chemical_formula_sum     'C11 H14 N2 O3'
_chemical_formula_structural     'C11 H14 N2 O3'
_chemical_formula_weight     222.24
_symmetry_cell_setting    'monoclinic'
loop_
_symmetry_equiv_pos_as_xyz
'+x,+y,+z'
'1/2-x,1/2+y,1/2-z'
'-x,-y,-z'
'1/2+x,1/2-y,1/2+z'
_symmetry_space_group_name_H-M     'P 21/n'
_cell_length_a     4.863(2)
_cell_length_b     10.8040(10)
_cell_length_c     20.139(5)
_cell_angle_alpha     90
_cell_angle_beta     96.19(3)
_cell_angle_gamma     90
_cell_volume     1051.8(5)
_cell_formula_units_Z     4
_exptl_crystal_density_diffrn     1.403
_exptl_crystal_density_meas     1.398
_cell_measurement_temperature     296
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
C1 .5740(8) .6355(4) .7604(2) .046(2)
C2 .4387(9) .7593(4) .7454(2) .049(2)
C3 .5098(13) .8103(4) .6791(2) .056(3)
C4 .5835(13) .6045(5) .6379(2) .061(3)
C5 .5068(11) .5480(4) .7027(2) .058(2)
C6 .2350(9) .7410(4) .5744(2) .043(2)
C7 .0644(9) .8465(3) .5715(2) .046(2)
C8
  -0.1423(10) .8638(4) .5212(2) .048(2)
C9
  -0.1885(9) .7766(4) .4707(2) .042(2)
C10 -.0195(10) .6736(4) .4702(2) .048(2)
C11 .1876(10) .6552(4) .5211(2) .048(2)
N1 .4387(9) .7220(3) .6254(2) .055(2)
N2
  -0.4137(8) .7929(3) .4194(2) .050(2)
O1 .4887(8) .5816(3) .8192(2) .068(2)
O2
  -0.5450(7) .8903(3) .4177(2) .064(2)
O3
  -0.4692(8) .7101(3) .37860(10)
                               .065(2)
H2 .782(8) .649(3) .768(2) .028(8)
H1 .62(2) .607(8) .860(4) .12(2)
H3 .520(9) .816(4) .787(2) .050(10)
H4 .230(10)
          .747(6) .744(3) .08(2)
H5 .443(8) .891(4) .672(2) .033(9)
H6 .730(10)
          .811(4) .686(2) .040(10)
H8 .520(10)
          .542(5) .608(3) .070(10)
H7 .770(10)
          .624(5) .646(3) .070(10)
H9 .50(2) .456(8) .739(4) .13(3)
H10 .296(9) .535(3) .696(2) .036(9)
H11 .081(9) .906(4) .611(2) .050(10)
H12
   -0.260(10)
            .931(5) .524(2) .060(10)
H13 -.030(10)
            .623(5) .430(3) .070(10)
H14 .330(10)
           .582(5) .517(3) .070(10)