Two forms of (naphthalen-1-yl)boronic acid
Bemisderfer, Kayleigh; Nazarenko, Alexander Y.; Acta Crystallographica Section E 72 (2016) 1285–1289; doi:10.1107/S2056989016012494

data_2241813
_publ_section_title
;
 Two forms of (naphthalen-1-yl)boronic acid
;
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              1285
_journal_page_last               1289
_journal_paper_doi               10.1107/S2056989016012494
_journal_volume                  72
_journal_year                    2016
_chemical_formula_iupac          'C10 H9 B O2'
_chemical_formula_moiety         'C10 H9 B O2'
_chemical_formula_sum            'C10 H9 B O2'
_chemical_formula_weight         171.98
_chemical_name_systematic
;
(Naphthalen-1-yl)boronic acid
;
_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'
_atom_sites_solution_hydrogens   mixed
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Olex2 1.2
(compiled 2015.09.30 svn.r3233 for OlexSys, GUI svn.r5103)
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_computing_cell_refinement
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SAINT (Bruker, 2013)
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_computing_data_collection
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APEX2 (Bruker, 2013)
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SAINT (Bruker, 2013)
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<i>OLEX2</i> (Dolomanov <i>et al.</i>,  2009)
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<i>OLEX2</i> (Dolomanov <i>et al.</i>,  2009)
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SHELXL2014 (Sheldrick, 2015b)
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_computing_structure_solution
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SHELXT (Sheldrick, 2015a)
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_diffrn_reflns_theta_max         77.405
_diffrn_reflns_theta_min         2.983
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_exptl_absorpt_coefficient_mu    0.711
_exptl_absorpt_correction_T_max  0.9508
_exptl_absorpt_correction_T_min  0.7594
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_exptl_absorpt_process_details
;
(SADABS; Bruker, 2015)
;
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_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.0435P)^2^+0.2015P] where P=(Fo^2^+2Fc^2^)/3'
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_reflns_threshold_expression     'I > 2\s(I)'
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_cod_database_code               2241813
_cod_database_fobs_code          2241813
_shelx_estimated_absorpt_t_min   0.650
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_shelx_hkl_checksum              8268
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