2-(2-Amino-1,3-thiazol-4-yl)acetohydrazide
Pallavi, G. B.; Gowda, Ramakrishna; Gowda, K. V. Arjuna; Basanagouda, Mahantesha; Latha, A. L.; IUCrData 1 (2016) x161273–; doi:10.1107/S2414314616012736

data_1543904
_publ_section_title
;
 2-(2-Amino-1,3-thiazol-4-yl)acetohydrazide
;
_journal_coeditor_code           HB4068
_journal_issue                   8
_journal_name_full               IUCrData
_journal_page_first              x161273
_journal_paper_doi               10.1107/S2414314616012736
_journal_volume                  1
_journal_year                    2016
_chemical_formula_iupac          'C5 H8 N4 O S'
_chemical_formula_moiety         'C5 H8 N4 O S'
_chemical_formula_sum            'C5 H8 N4 O S'
_chemical_formula_weight         172.21
_chemical_name_common            (2-Amino-thiazol-4-yl)-aceticacidhydrazide
_chemical_name_systematic
;
2-(2-Amino-1,3-thiazol-4-yl)acetohydrazide
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 91.448(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   4.96850(10)
_cell_length_b                   18.8795(5)
_cell_length_c                   8.2913(2)
_cell_measurement_reflns_used    4593
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      30.166
_cell_measurement_theta_min      2.457
_cell_volume                     777.50(3)
_computing_cell_refinement
;
APEX2 and SAINT (Bruker, 2004)
;
_computing_data_collection
;
APEX2 (Bruker, 2004)
;
_computing_data_reduction
;
SAINT (Bruker, 2004)
;
_computing_molecular_graphics
;
<i>OLEX2</i> (Dolomanov <i>et al.</i>,  2009)
;
_computing_publication_material
;
<i>OLEX2</i> (Dolomanov <i>et al.</i>,  2009)
;
_computing_structure_refinement
;
<i>olex2.refine</i> (Bourhis et al., 2015)
;
_computing_structure_solution
;
<i>OLEX2</i> (Dolomanov <i>et al.</i>,  2009)
;
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.9985
_diffrn_measured_fraction_theta_max 0.9985
_diffrn_measurement_device_type  'Bruker Kappa APEXII CCD'
_diffrn_measurement_method       '\w and \f scan'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0196
_diffrn_reflns_limit_h_max       5
_diffrn_reflns_limit_h_min       -5
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            1364
_diffrn_reflns_theta_full        26.0000
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.16
_exptl_absorpt_coefficient_mu    0.363
_exptl_absorpt_correction_T_max  0.930
_exptl_absorpt_correction_T_min  0.917
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(SADABS; Bruker, 2004)
;
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.4711
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             360.5934
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.2
_refine_diff_density_max         0.2774
_refine_diff_density_min         -0.2682
_refine_ls_goodness_of_fit_ref   1.0937
_refine_ls_hydrogen_treatment    refall
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     131
_refine_ls_number_reflns         1364
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.0937
_refine_ls_R_factor_all          0.0322
_refine_ls_R_factor_gt           0.0299
_refine_ls_shift/su_max          0.0002
_refine_ls_shift/su_mean         0.0001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0366P)^2^+0.2878P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0769
_refine_ls_wR_factor_ref         0.0788
_reflns_number_gt                1262
_reflns_number_total             1364
_reflns_threshold_expression     I>=2u(I)
_cod_data_source_file            hb4068sup1.cif
_cod_data_source_block           I
_cod_database_code               1543904
_cod_database_fobs_code          1543904