A highly sensitive fluorescent probe for detection of hydrazine in gas and solution phase based on the Gabriel mechanism and its bioimaging
Maji, Rajkishor; Mahapatra, Ajit Kumar; Maiti, Kalipada; Mondal, Sanchita; Ali, Syed Samim; Sahoo, Prithidipa; Mandal, Sukhendu; Uddin, Md. Raihan; Goswami, Shyamaprosad; Quah, Ching Kheng; Fun, Hoong- Kun; RSC Adv.  (2016) –; doi:10.1039/C6RA14212E

data_7225955
_publ_section_title
;
 A highly sensitive fluorescent probe for detection of hydrazine in gas
 and solution phase based on the Gabriel mechanism and its bioimaging
;
_journal_name_full               'RSC Adv.'
_journal_paper_doi               10.1039/C6RA14212E
_journal_year                    2016
_chemical_formula_moiety         'C14 H7 N3 O2 S'
_chemical_formula_sum            'C14 H7 N3 O2 S'
_chemical_formula_weight         281.29
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014
_audit_update_record
;
2016-05-14 deposited with the CCDC.
2016-07-15 downloaded from the CCDC.
;
_cell_angle_alpha                83.336(2)
_cell_angle_beta                 88.008(2)
_cell_angle_gamma                67.0850(10)
_cell_formula_units_Z            2
_cell_length_a                   7.5691(9)
_cell_length_b                   8.3593(10)
_cell_length_c                   10.1479(12)
_cell_measurement_reflns_used    5298
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      27.74
_cell_measurement_theta_min      2.66
_cell_volume                     587.38(12)
_computing_cell_refinement       'SAINT (Bruker, 2009)'
_computing_data_collection       'APEX2 (Bruker, 2009)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    SHELXTL
_computing_publication_material  'SHELXTL and PLATON (Spek, 2009)'
_computing_structure_refinement  SHELXTL
_computing_structure_solution    'SHELXTL (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type
;
Bruker SMART APEX II DUO CCD area-detector diffractometer 
;
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0438
_diffrn_reflns_av_unetI/netI     0.0437
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.988
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            8048
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.988
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.736
_diffrn_reflns_theta_min         2.021
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.280
_exptl_absorpt_correction_T_max  0.916
_exptl_absorpt_correction_T_min  0.895
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(<i>SADABS</i>; Bruker, 2009)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.590
_exptl_crystal_description       block
_exptl_crystal_F_000             288
_exptl_crystal_size_max          0.404
_exptl_crystal_size_mid          0.334
_exptl_crystal_size_min          0.320
_refine_diff_density_max         0.448
_refine_diff_density_min         -0.307
_refine_diff_density_rms         0.071
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.059
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     181
_refine_ls_number_reflns         2728
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.059
_refine_ls_R_factor_all          0.0420
_refine_ls_R_factor_gt           0.0371
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0384P)^2^+0.3240P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0923
_refine_ls_wR_factor_ref         0.0960
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2434
_reflns_number_total             2728
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c6ra14212e2.cif
_cod_data_source_block           mo_fs419_0m
_cod_database_code               7225955
_shelx_estimated_absorpt_t_min   0.895
_shelx_estimated_absorpt_t_max   0.916
_shelxl_version_number           2014-3
_shelx_res_checksum              9585