# Electronic Supplementary Material (ESI) for RSC Advances.
# 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. 
# 
#######################################################################

data_try2p
_database_code_depnum_ccdc_archive 'CCDC 1450244'
_audit_update_record             
;
2016-01-27 deposited with the CCDC.
2016-02-15 downloaded from the CCDC.
;
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 21/n'
_symmetry_Int_Tables_number      14
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 1/2-x,1/2+y,1/2-z
3 -x,-y,-z
4 1/2+x,1/2-y,1/2+z
_cell_length_a                   13.9548(12)
_cell_length_b                   10.0205(9)
_cell_length_c                   18.6659(16)
_cell_angle_alpha                90.00
_cell_angle_beta                 94.049(2)
_cell_angle_gamma                90.00
_cell_volume                     2603.61
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C11 C 0.13393(13) 0.20343(19) 0.00101(10)
C4 C 0.02865(13) 0.08506(19) 0.07854(10)
C10 C 0.11988(12) 0.10948(19) 0.05024(10)
C14 C 0.05418(13) 0.28607(19) -0.02639(11)
C8 C -0.04797(13) 0.1670(2) 0.05277(10)
C3 C 0.27795(13) 0.0286(2) 0.04715(10)
C2 C 0.29724(13) 0.1171(2) -0.00490(10)
C13 C 0.22933(12) 0.22916(19) -0.02826(10)
C16 C 0.33140(13) 0.4448(2) -0.04268(11)
C5 C 0.01397(16) -0.0166(2) 0.12799(11)
H5 H 0.0648 -0.0714 0.1440
C1 C 0.38376(14) 0.1018(2) -0.03875(11)
C9 C -0.13837(14) 0.1455(2) 0.07919(13)
H9 H -0.1900 0.1989 0.0632
C12 C 0.27003(14) 0.3626(2) 0.00163(10)
C6 C -0.07577(17) -0.0358(3) 0.15302(12)
H6 H -0.0856 -0.1031 0.1860
C7 C -0.15142(16) 0.0466(3) 0.12836(13)
H7 H -0.2118 0.0344 0.1455
C17 C 0.35513(17) 0.4078(2) -0.11101(12)
H17 H 0.3324 0.3276 -0.1307
C15 C -0.11380(17) 0.3501(3) -0.02399(16)
H15A H -0.0917 0.4151 -0.0568
H15B H -0.1396 0.3947 0.0159
H15C H -0.1628 0.2960 -0.0482
C18 C 0.36536(18) 0.5662(3) -0.01435(16)
H18 H 0.3500 0.5925 0.0312
C21 C 0.4427(2) 0.6058(3) -0.1211(2)
C19 C 0.4121(2) 0.4890(3) -0.14989(16)
H19 H 0.4290 0.4634 -0.1952
C20 C 0.4222(2) 0.6477(3) -0.0541(2)
H20 H 0.4456 0.7285 -0.0357
N3 N -0.03324(11) 0.26512(18) 0.00220(10)
N2 N 0.33375(14) -0.0698(2) 0.07413(11)
H2A H 0.3894 -0.0828 0.0583
H2B H 0.3141 -0.1203 0.1073
N1 N 0.45297(15) 0.0874(3) -0.06719(13)
O2 O 0.19226(9) 0.02798(16) 0.07847(8)
O3 O 0.06425(12) 0.37129(17) -0.07278(10)
O1 O 0.25251(15) 0.39678(19) 0.06201(9)
F1 F 0.49794(19) 0.6861(2) -0.16001(16)

#END
_chemical_name_systematic        
2-Amino-4-(4-fluoro-benzoyl)-6-methyl-5-oxo-5,6-dihydro-4H-pyrano[3,2-c]quinoline-3-carbonitrile
_exptl_crystal_recrystallization_method 'Re-crystallisation from solvent: EtOH'
_refine_special_details          SQUEEZE
