# Electronic Supplementary Material (ESI) for New Journal of Chemistry.
# This journal is © The Royal Society of Chemistry and the Centre National de la Recherche Scientifique 2021

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# 
# 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_I
_audit_block_doi                 10.5517/ccdc.csd.cc1z6l2v
_database_code_depnum_ccdc_archive 'CCDC 1823577'
loop_
_audit_author_name
_audit_author_address
'Seda Sagdinc' 'Kocaeli University'
_audit_update_record             
;
2018-02-12 deposited with the CCDC.	2021-03-02 downloaded from the CCDC.
;
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 21/n'
_symmetry_Int_Tables_number      14
_space_group_name_Hall           '-P 2yn'
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                   6.1997(4)
_cell_length_b                   10.8692(7)
_cell_length_c                   11.6685(8)
_cell_angle_alpha                90
_cell_angle_beta                 101.814(4)
_cell_angle_gamma                90
_cell_volume                     769.635
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C 0.2340(2) 0.57685(13) 0.40567(12)
H1 H 0.1061 0.5508 0.4283
C2 C 0.3887(2) 0.64857(13) 0.47883(12)
C3 C 0.5815(3) 0.68875(14) 0.44869(13)
H3 H 0.6822 0.7354 0.5011
C4 C 0.6232(3) 0.65919(14) 0.34034(13)
H4 H 0.7505 0.6861 0.3176
C5 C 0.4688(2) 0.58806(13) 0.26667(12)
C6 C 0.2771(2) 0.54583(13) 0.29871(12)
C7 C 0.1508(3) 0.47016(15) 0.20084(13)
H7A H 0.0061 0.5049 0.1711
H7B H 0.1343 0.3861 0.2257
C8 C 0.2919(3) 0.47585(14) 0.11023(13)
N1 N 0.4720(2) 0.54595(12) 0.15440(11)
N2 N 0.3452(2) 0.68171(12) 0.59279(11)
O1 O 0.4911(2) 0.73265(12) 0.66377(10)
O2 O 0.1640(2) 0.65772(14) 0.61321(12)
O3 O 0.2547(2) 0.42750(12) 0.01378(10)
H1N H 0.568(3) 0.5607(18) 0.1099(16)
