# Electronic Supplementary Material (ESI) for CrystEngComm.
# This journal is © The Royal Society of Chemistry 2016

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
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data_SibutramineRietveld
_database_code_depnum_ccdc_archive 'CCDC 1453127'
_audit_update_record             
;
2016-02-12 deposited with the CCDC.
2016-08-11 downloaded from the CCDC.
;

_audit_creation_date             2016-02-11
_audit_creation_method           'Materials Studio'
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C17 H27 Cl N, Cl'
_chemical_formula_sum            'C17 H27 Cl2 N'
_chemical_formula_weight         316.3
_symmetry_space_group_name_H-M   P21
_symmetry_Int_Tables_number      4
_symmetry_cell_setting           monoclinic

loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,1/2+y,-z

_cell_length_a                   12.0282(19)
_cell_length_b                   9.0364(15)
_cell_length_c                   8.1578(11)
_cell_angle_alpha                90.0000
_cell_angle_beta                 90.601(9)
_cell_angle_gamma                90.0000
_cell_volume                     886.6(2)
_cell_formula_units_Z            2
_cell_measurement_temperature    295(1)
_cell_measurement_theta_min      5.0
_cell_measurement_theta_max      35.0
_exptl_crystal_density_diffrn    1.185
_exptl_crystal_description       'Powder Sample'
_exptl_crystal_colour            White
_diffrn_ambient_temperature      295(1)
_diffrn_radiation_wavelength     1.540562
_diffrn_radiation_type           CuK\a~1~
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  'curved quartz'
_diffrn_measurement_device_type  'Inel CPS120'

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
Cl2 Cl 0.0808(5) 0.2862(5) 0.6180(8) 0.50000 Uiso 1.00
Cl1 Cl 0.3462(3) 0.4487(8) -0.1563(3) 0.50000 Uiso 1.00
N1 N 0.1543(3) 0.8462(8) 0.5128(4) 0.50000 Uiso 1.00
H1 H 0.0841(3) 0.8452(9) 0.4370(5) 0.50000 Uiso 1.00
C1 C 0.2091(4) 0.9776(8) 0.2437(4) 0.50000 Uiso 1.00
C2 C 0.0926(5) 1.0458(9) 0.1999(5) 0.50000 Uiso 1.00
H2A H 0.0486(4) 1.0843(10) 0.3089(6) 0.50000 Uiso 1.00
H2B H 0.0376(5) 0.9772(10) 0.1248(6) 0.50000 Uiso 1.00
C3 C 0.1442(7) 1.1742(9) 0.1022(4) 0.50000 Uiso 1.00
H3A H 0.1201(8) 1.2853(9) 0.1412(4) 0.50000 Uiso 1.00
H3B H 0.1374(8) 1.1611(9) -0.0316(4) 0.50000 Uiso 1.00
C4 C 0.2571(6) 1.1255(8) 0.1716(3) 0.50000 Uiso 1.00
H4A H 0.3185(7) 1.1154(8) 0.0754(3) 0.50000 Uiso 1.00
H4B H 0.2863(6) 1.2034(8) 0.2650(3) 0.50000 Uiso 1.00
C5 C 0.2395(3) 0.8427(8) 0.1437(3) 0.50000 Uiso 1.00
C6 C 0.3503(3) 0.8230(8) 0.0916(3) 0.50000 Uiso 1.00
H6 H 0.4109(4) 0.8972(8) 0.1214(4) 0.50000 Uiso 1.00
C7 C 0.3814(3) 0.7007(8) -0.0037(3) 0.50000 Uiso 1.00
H7 H 0.4605(3) 0.6906(8) -0.0445(4) 0.50000 Uiso 1.00
C8 C 0.3031(3) 0.5930(8) -0.0441(3) 0.50000 Uiso 1.00
C9 C 0.1933(3) 0.6057(8) 0.0092(4) 0.50000 Uiso 1.00
H9 H 0.1372(3) 0.5252(9) -0.0206(5) 0.50000 Uiso 1.00
C10 C 0.1616(3) 0.7299(8) 0.1037(4) 0.50000 Uiso 1.00
H10 H 0.0813(3) 0.7350(9) 0.1442(5) 0.50000 Uiso 1.00
C11 C 0.2321(3) 0.9576(8) 0.4341(3) 0.50000 Uiso 1.00
H11 H 0.2115(3) 1.0672(8) 0.4832(4) 0.50000 Uiso 1.00
C12 C 0.1901(5) 0.6869(8) 0.5243(4) 0.50000 Uiso 1.00
H12A H 0.2245(4) 0.6470(8) 0.4100(4) 0.50000 Uiso 1.00
H12B H 0.2520(6) 0.6674(8) 0.6209(3) 0.50000 Uiso 1.00
H12C H 0.1194(6) 0.6146(9) 0.5501(5) 0.50000 Uiso 1.00
C13 C 0.1085(4) 0.8938(9) 0.6762(5) 0.50000 Uiso 1.00
H13A H 0.0665(3) 1.0015(9) 0.6670(5) 0.50000 Uiso 1.00
H13B H 0.0445(5) 0.8168(10) 0.7171(6) 0.50000 Uiso 1.00
H13C H 0.1713(4) 0.9011(8) 0.7741(4) 0.50000 Uiso 1.00
C14 C 0.3589(3) 0.9333(8) 0.4729(3) 0.50000 Uiso 1.00
H14A H 0.3806(3) 0.8202(8) 0.4388(3) 0.50000 Uiso 1.00
H14B H 0.4075(3) 1.0052(8) 0.3934(4) 0.50000 Uiso 1.00
C15 C 0.3985(3) 0.9619(8) 0.6516(4) 0.50000 Uiso 1.00
H15 H 0.3568(4) 0.8834(8) 0.7325(3) 0.50000 Uiso 1.00
C16 C 0.5253(3) 0.9353(9) 0.6650(5) 0.50000 Uiso 1.00
H16A H 0.5451(4) 0.8220(9) 0.6305(5) 0.50000 Uiso 1.00
H16B H 0.5713(3) 1.0100(10) 0.5849(6) 0.50000 Uiso 1.00
H16C H 0.5551(4) 0.9513(9) 0.7906(6) 0.50000 Uiso 1.00
C17 C 0.3736(3) 1.1215(8) 0.7076(3) 0.50000 Uiso 1.00
H17A H 0.4154(3) 1.1470(8) 0.8220(4) 0.50000 Uiso 1.00
H17B H 0.4000(4) 1.2031(8) 0.6184(4) 0.50000 Uiso 1.00
H17C H 0.2855(3) 1.1402(8) 0.7287(3) 0.50000 Uiso 1.00

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Cl1 C8 1.678(8) . . yes
N1 C11 1.521(8) . . yes
N1 C12 1.505(10) . . yes
N1 C13 1.510(6) . . yes
N1 H1 1.041(5) . . no
C1 C2 1.569(8) . . no
C1 C5 1.514(9) . . no
C1 C11 1.585(4) . . no
C1 C4 1.573(9) . . no
C2 C3 1.542(10) . . no
C3 C4 1.530(10) . . no
C5 C10 1.420(8) . . no
C5 C6 1.414(5) . . no
C6 C7 1.404(8) . . no
C7 C8 1.392(8) . . no
C8 C9 1.400(5) . . no
C9 C10 1.416(9) . . no
C11 C14 1.570(5) . . no
C14 C15 1.551(4) . . no
C15 C16 1.547(5) . . no
C15 C17 1.543(10) . . no
C2 H2A 1.096(7) . . no
C2 H2B 1.090(9) . . no
C3 H3A 1.093(11) . . no
C3 H3B 1.100(5) . . no
C4 H4A 1.087(8) . . no
C4 H4B 1.093(8) . . no
C6 H6 1.018(8) . . no
C7 H7 1.015(5) . . no
C9 H9 1.020(9) . . no
C10 H10 1.025(5) . . no
C11 H11 1.098(9) . . no
C12 H12A 1.086(6) . . no
C12 H12B 1.093(7) . . no
C12 H12C 1.095(10) . . no
C13 H13A 1.099(11) . . no
C13 H13B 1.093(10) . . no
C13 H13C 1.096(6) . . no
C14 H14A 1.092(10) . . no
C14 H14B 1.092(7) . . no
C15 H15 1.094(8) . . no
C16 H16A 1.089(11) . . no
C16 H16B 1.094(9) . . no
C16 H16C 1.092(6) . . no
C17 H17A 1.080(5) . . no
C17 H17B 1.086(8) . . no
C17 H17C 1.089(5) . . no

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_2
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C11 N1 C12 118.8(4) . . . yes
C11 N1 C13 114.6(5) . . . yes
C12 N1 C13 108.9(4) . . . yes
C13 N1 H1 103.0(4) . . . no
C11 N1 H1 104.7(5) . . . no
C12 N1 H1 105.0(7) . . . no
C2 C1 C4 84.9(5) . . . no
C2 C1 C5 114.5(4) . . . no
C2 C1 C11 114.5(3) . . . no
C4 C1 C5 113.0(4) . . . no
C4 C1 C11 113.7(4) . . . no
C5 C1 C11 113.3(5) . . . no
C1 C2 C3 92.9(5) . . . no
C2 C3 C4 87.3(5) . . . no
C1 C4 C3 93.2(5) . . . no
C1 C5 C6 119.8(5) . . . no
C1 C5 C10 122.6(4) . . . no
C6 C5 C10 117.5(5) . . . no
C5 C6 C7 121.5(5) . . . no
C6 C7 C8 119.9(4) . . . no
Cl1 C8 C9 122.1(5) . . . yes
Cl1 C8 C7 117.4(3) . . . yes
C7 C8 C9 120.5(5) . . . no
C8 C9 C10 119.6(5) . . . no
C5 C10 C9 120.9(4) . . . no
C1 C11 C14 111.9(3) . . . no
N1 C11 C1 112.8(4) . . . yes
N1 C11 C14 115.0(5) . . . yes
C11 C14 C15 117.0(3) . . . no
C14 C15 C16 109.5(3) . . . no
C14 C15 C17 112.1(4) . . . no
C16 C15 C17 108.6(5) . . . no
C1 C2 H2A 112.2(5) . . . no
C1 C2 H2B 116.1(7) . . . no
C3 C2 H2A 112.4(8) . . . no
C3 C2 H2B 112.5(5) . . . no
H2A C2 H2B 109.9(7) . . . no
C2 C3 H3A 115.6(6) . . . no
C2 C3 H3B 113.9(8) . . . no
C4 C3 H3A 113.2(7) . . . no
C4 C3 H3B 113.1(8) . . . no
H3A C3 H3B 111.7(8) . . . no
C1 C4 H4A 117.0(7) . . . no
C1 C4 H4B 113.8(4) . . . no
C3 C4 H4A 111.4(4) . . . no
C3 C4 H4B 110.5(7) . . . no
H4A C4 H4B 110.0(8) . . . no
C5 C6 H6 121.3(6) . . . no
C7 C6 H6 117.2(5) . . . no
C6 C7 H7 120.5(6) . . . no
C8 C7 H7 119.6(7) . . . no
C8 C9 H9 119.5(6) . . . no
C10 C9 H9 120.9(5) . . . no
C5 C10 H10 121.0(7) . . . no
C9 C10 H10 118.1(7) . . . no
N1 C11 H11 107.5(4) . . . no
C1 C11 H11 102.5(5) . . . no
C14 C11 H11 106.0(5) . . . no
N1 C12 H12A 112.1(5) . . . no
N1 C12 H12B 113.1(6) . . . no
N1 C12 H12C 111.1(6) . . . no
H12A C12 H12B 107.6(7) . . . no
H12A C12 H12C 105.7(7) . . . no
H12B C12 H12C 106.9(6) . . . no
N1 C13 H13A 111.3(5) . . . no
N1 C13 H13B 110.7(7) . . . no
N1 C13 H13C 113.9(5) . . . no
H13A C13 H13B 105.1(6) . . . no
H13A C13 H13C 108.0(7) . . . no
H13B C13 H13C 107.4(6) . . . no
C11 C14 H14A 108.3(5) . . . no
C11 C14 H14B 108.8(5) . . . no
C15 C14 H14A 108.9(5) . . . no
C15 C14 H14B 107.4(5) . . . no
H14A C14 H14B 106.0(5) . . . no
C14 C15 H15 108.7(5) . . . no
C16 C15 H15 108.3(5) . . . no
C17 C15 H15 109.6(5) . . . no
C15 C16 H16A 110.3(6) . . . no
C15 C16 H16B 111.5(6) . . . no
C15 C16 H16C 111.1(4) . . . no
H16A C16 H16B 108.2(6) . . . no
H16A C16 H16C 107.3(7) . . . no
H16B C16 H16C 108.4(7) . . . no
C15 C17 H17A 111.4(6) . . . no
C15 C17 H17B 112.2(4) . . . no
C15 C17 H17C 112.6(6) . . . no
H17A C17 H17B 107.3(6) . . . no
H17A C17 H17C 106.0(4) . . . no
H17B C17 H17C 107.0(6) . . . no

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
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C12 N1 C11 C1 92.1(5) . . . . no
C12 N1 C11 C14 -37.8(5) . . . . no
C13 N1 C11 C1 -136.7(5) . . . . no
C13 N1 C11 C14 93.4(5) . . . . no
C4 C1 C2 C3 9.9(3) . . . . no
C5 C1 C2 C3 -103.1(5) . . . . no
C11 C1 C2 C3 123.7(5) . . . . no
C2 C1 C4 C3 -10.0(3) . . . . no
C5 C1 C4 C3 104.4(4) . . . . no
C11 C1 C4 C3 -124.5(4) . . . . no
C2 C1 C5 C6 141.4(4) . . . . no
C2 C1 C5 C10 -40.9(6) . . . . no
C4 C1 C5 C6 46.4(6) . . . . no
C4 C1 C5 C10 -136.0(5) . . . . no
C11 C1 C5 C6 -84.8(5) . . . . no
C11 C1 C5 C10 92.8(5) . . . . no
C2 C1 C11 N1 64.9(7) . . . . no
C2 C1 C11 C14 -163.6(6) . . . . no
C4 C1 C11 N1 160.3(5) . . . . no
C4 C1 C11 C14 -68.2(7) . . . . no
C5 C1 C11 N1 -68.9(5) . . . . no
C5 C1 C11 C14 62.7(7) . . . . no
C1 C2 C3 C4 -10.2(4) . . . . no
C2 C3 C4 C1 10.2(4) . . . . no
C1 C5 C6 C7 -178.9(4) . . . . no
C10 C5 C6 C7 3.4(6) . . . . no
C1 C5 C10 C9 179.7(4) . . . . no
C6 C5 C10 C9 -2.6(6) . . . . no
C5 C6 C7 C8 -2.2(6) . . . . no
C6 C7 C8 Cl1 -179.3(4) . . . . no
C6 C7 C8 C9 0.2(6) . . . . no
Cl1 C8 C9 C10 180.0(4) . . . . no
C7 C8 C9 C10 0.6(7) . . . . no
C8 C9 C10 C5 0.7(7) . . . . no
N1 C11 C14 C15 -68.6(7) . . . . no
C1 C11 C14 C15 161.0(6) . . . . no
C11 C14 C15 C16 -178.9(6) . . . . no
C11 C14 C15 C17 -58.4(6) . . . . 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
Cl1 C17 3.177(10) . 1_544 no
Cl2 N1 3.060(7) . 2_546 no
Cl2 C2 3.482(9) . 2_546 no
Cl2 C12 3.562(8) . 2_546 no
Cl2 C13 3.432(8) . 2_546 no
Cl2 C13 3.593(9) . 1_545 no
Cl1 H17A 2.857(10) . 1_544 no
Cl1 H17B 2.958(8) . 1_544 no
Cl1 H6 2.969(6) . 2_645 no
Cl1 H12B 2.907(8) . 1_554 no
Cl1 H17C 3.028(10) . 1_544 no
Cl2 H2B 3.078(9) . 2_546 no
Cl2 H17C 2.928(7) . 1_545 no
Cl2 H10 2.803(7) . 2_546 no
Cl2 H1 2.098(7) . 2_546 no
Cl2 H3B 3.142(8) . 1_546 no
Cl2 H11 2.763(8) . 1_545 no
Cl2 H13B 3.120(8) . 2_546 no
Cl2 H13A 2.610(9) . 1_545 no
Cl2 H12C 3.055(9) . . no
Cl2 H2A 3.133(9) . 1_545 no
N1 Cl2 3.060(7) . 2_556 no
C2 Cl2 3.482(9) . 2_556 no
C5 C12 3.466(6) . . no
C6 C14 3.267(5) . . no
C10 C12 3.467(5) . . no
C12 Cl2 3.562(8) . 2_556 no
C12 C10 3.467(5) . . no
C12 C5 3.466(6) . . no
C13 Cl2 3.593(9) . 1_565 no
C13 Cl2 3.432(8) . 2_556 no
C13 C15 3.550(6) . . no
C14 C6 3.267(5) . . no
C15 C13 3.550(6) . . no
C17 Cl1 3.177(10) . 1_566 no
C2 H13B 3.033(11) . 2_556 no
C2 H10 2.848(11) . . no
C2 H1 2.654(9) . . no
C3 H13B 3.009(10) . 2_556 no
C4 H6 2.804(9) . . no
C4 H14B 2.768(7) . . no
C5 H14A 2.938(4) . . no
C5 H1 3.052(5) . . no
C5 H12A 2.809(7) . . no
C6 H4A 2.673(10) . . no
C6 H14A 2.852(4) . . no
C6 H14B 3.035(7) . . no
C6 H15 2.982(4) . 1_554 no
C7 H15 2.726(7) . 1_554 no
C7 H17A 2.886(5) . 2_646 no
C7 H16C 2.942(9) . 2_646 no
C8 H12B 2.875(4) . 1_554 no
C8 H16C 2.958(7) . 2_646 no
C10 H12A 2.709(5) . . no
C10 H1 3.066(6) . . no
C10 H2B 2.693(10) . . no
C11 H17C 2.980(6) . . no
C12 H14A 2.687(8) . . no
C13 H15 3.018(7) . . no
C14 H12B 2.986(9) . . no
C14 H6 2.959(4) . . no
C14 H12A 3.091(9) . . no
C14 H4B 3.093(9) . . no
C15 H13C 2.971(6) . . no
C17 H4A 3.080(4) . 1_556 no
C17 H11 2.705(5) . . no
H1 C2 2.654(9) . . no
H1 C5 3.052(5) . . no
H1 C10 3.066(6) . . no
H1 H2A 2.436(11) . . no
H1 H10 2.588(7) . . no
H1 Cl2 2.098(7) . 2_556 no
H2A Cl2 3.133(9) . 1_565 no
H2A H1 2.436(11) . . no
H2A H11 2.414(6) . . no
H2A H12C 2.352(8) . 2_556 no
H2A H13B 2.389(12) . 2_556 no
H2B H10 2.256(12) . . no
H2B C10 2.693(10) . . no
H2B Cl2 3.078(9) . 2_556 no
H2B H9 2.301(7) . 2_555 no
H3A H13B 2.321(10) . 2_556 no
H3A H9 2.548(10) . 1_565 no
H3B Cl2 3.142(8) . 1_564 no
H4A C17 3.080(4) . 1_554 no
H4A C6 2.673(10) . . no
H4A H6 2.292(10) . . no
H4A H17A 2.401(6) . 1_554 no
H4B H16A 2.440(9) . 2_656 no
H4B C14 3.093(9) . . no
H4B H11 2.351(7) . . no
H4B H14B 2.529(9) . . no
H6 C4 2.804(9) . . no
H6 C14 2.959(4) . . no
H6 H4A 2.292(10) . . no
H6 H14B 2.425(6) . . no
H6 Cl1 2.969(6) . 2_655 no
H7 H17A 2.371(5) . 2_646 no
H9 H3A 2.548(10) . 1_545 no
H9 H2B 2.301(7) . 2_545 no
H10 C2 2.848(11) . . no
H10 H1 2.588(7) . . no
H10 H2B 2.256(12) . . no
H10 Cl2 2.803(7) . 2_556 no
H11 Cl2 2.763(8) . 1_565 no
H11 C17 2.705(5) . . no
H11 H2A 2.414(6) . . no
H11 H13A 2.387(6) . . no
H11 H17C 2.281(5) . . no
H11 H4B 2.351(7) . . no
H12A C14 3.091(9) . . no
H12A H14A 2.454(8) . . no
H12A C5 2.809(7) . . no
H12A C10 2.709(5) . . no
H12B C8 2.875(4) . 1_556 no
H12B C14 2.986(9) . . no
H12B Cl1 2.907(8) . 1_556 no
H12B H15 2.491(9) . . no
H12B H14A 2.560(8) . . no
H12C H13B 2.456(10) . . no
H12C H2A 2.352(8) . 2_546 no
H12C Cl2 3.055(9) . . no
H13A H11 2.387(6) . . no
H13A Cl2 2.610(9) . 1_565 no
H13B H12C 2.456(10) . . no
H13B Cl2 3.120(8) . 2_556 no
H13B C2 3.033(11) . 2_546 no
H13B C3 3.009(10) . 2_546 no
H13B H2A 2.389(12) . 2_546 no
H13B H3A 2.321(10) . 2_546 no
H13C C15 2.971(6) . . no
H13C H15 2.266(7) . . no
H13C H17C 2.589(9) . . no
H14A C5 2.938(4) . . no
H14A C6 2.852(4) . . no
H14A C12 2.687(8) . . no
H14A H12A 2.454(8) . . no
H14A H12B 2.560(8) . . no
H14A H16A 2.509(6) . . no
H14B H4B 2.529(9) . . no
H14B C4 2.768(7) . . no
H14B C6 3.035(7) . . no
H14B H17B 2.565(8) . . no
H14B H6 2.425(6) . . no
H14B H16B 2.502(5) . . no
H15 C6 2.982(4) . 1_556 no
H15 H12B 2.491(9) . . no
H15 C7 2.726(7) . 1_556 no
H15 C13 3.018(7) . . no
H15 H13C 2.266(7) . . no
H16A H17B 2.396(7) . 2_646 no
H16A H14A 2.509(6) . . no
H16A H4B 2.440(9) . 2_646 no
H16B H14B 2.502(5) . . no
H16C H17A 2.455(9) . . no
H16C C7 2.942(9) . 2_656 no
H16C C8 2.958(7) . 2_656 no
H17A Cl1 2.857(10) . 1_566 no
H17A H4A 2.401(6) . 1_556 no
H17A H16C 2.455(9) . . no
H17A C7 2.886(5) . 2_656 no
H17A H7 2.371(5) . 2_656 no
H17B Cl1 2.958(8) . 1_566 no
H17B H14B 2.565(8) . . no
H17B H16A 2.396(7) . 2_656 no
H17C Cl1 3.028(10) . 1_566 no
H17C Cl2 2.928(7) . 1_565 no
H17C C11 2.980(6) . . no
H17C H11 2.281(5) . . no
H17C H13C 2.589(9) . . no

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
_geom_hbond_publ_flag
#
#D   H   A   D - H  H...A   D...A    D - H...A  symm(A)
#
N1 H1 Cl2 1.041(5) 2.098(7) 3.060(7) 152.6(5) 2_556 yes
C10 H10 Cl2 1.025(5) 2.803(7) 3.749(7) 153.5(4) 2_556 yes
C11 H11 Cl2 1.098(9) 2.763(8) 3.800(8) 157.4(4) 1_565 yes
C13 H13A Cl2 1.099(11) 2.610(9) 3.593(9) 148.5(4) 1_565 yes

_vrf_ATOM007-PLAT201             
;
PROBLEM: _atom_site_aniso_label is missing and isotropic non H-atoms in main residues
REPLY : Powder Rigid body Global Isotropic Factor
;
_vrf_PLAT029                     
;
PROBLEM: _diffrn_measured_fraction_theta_full Low ....... 0.000.
REPLY : Powder diffraction - no monocrystal
;
_vrf_PLAT035-PLAT034             
;
PROBLEM: _chemical_absolute_configuration info and No Flack Parameter Given.
REPLY: Powder Diffraction
;
_chemical_name_systematic        
'anhydrous sibutramine hydrochloride enantiomer'
_exptl_crystal_recrystallization_method 'dehydration of the hydrated form'
