Redetermined crystal structure of β-<small>DL</small>-methionine at 320K
Görbitz, Carl Henrik; Paulsen, Jan Christian; Borgersen, Jon; Acta Crystallographica Section E 71 (2015) o398–o399; doi:10.1107/S2056989015008749

data_2240647
_publ_section_title
;
 Redetermined crystal structure of \b-<small>DL</small>-methionine at 320K
;
_journal_coeditor_code           SU5129
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o398
_journal_page_last               o399
_journal_paper_doi               10.1107/S2056989015008749
_journal_volume                  71
_journal_year                    2015
_chemical_formula_iupac          'C5 H11 N O2 S'
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_chemical_formula_sum            'C5 H11 N O2 S'
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_chemical_name_common            DL-methionine
_chemical_name_systematic
;
2-Amino-4-(methylsulfanyl)butanoic acid
;
_space_group_crystal_system      monoclinic
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_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_space_group_name_Hall  '-C 2yc'
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_computing_cell_refinement
;
SAINT-Plus (Bruker, 2014)
;
_computing_data_collection
;
APEX2 (Bruker, 2014)
;
_computing_data_reduction
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SAINT-Plus (Bruker, 2014)
;
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;
Mercury (Macrae <i>et al.</i>,  2008)
;
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SHELXL2014 (Sheldrick, 2015)
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;
SHELXL2014 (Sheldrick, 2015)
;
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;
SHELXS2014 (Sheldrick, 2008)
;
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'Sets of exposures each taken over 0.5\% \w rotation'
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_diffrn_radiation_source         'fine-focus sealed tube'
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_diffrn_reflns_limit_h_min       -44
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_exptl_absorpt_coefficient_mu    0.369
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;
(SADABS; Bruker, 2014)
;
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.0458P)^2^+1.6546P] where P=(Fo^2^+2Fc^2^)/3'
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