Concerning the crystal morphologies of the α and β polymorphs of p-aminobenzoic acid
Sullivan, Rachel A.; Davey, Roger J.; CrystEngComm 17 (2015) 1015–; doi:10.1039/C4CE01857E

data_7218610
_publ_section_title
;
 Concerning the crystal morphologies of the \a and \b polymorphs of
 p-aminobenzoic acid
;
_journal_issue                   5
_journal_name_full               CrystEngComm
_journal_page_first              1015
_journal_paper_doi               10.1039/C4CE01857E
_journal_volume                  17
_journal_year                    2015
_chemical_formula_moiety         'C7 H7 N O2'
_chemical_formula_sum            'C7 H7 N O2'
_chemical_formula_weight         137.14
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_audit_creation_date             2013-11-11
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  Olex2 1.1
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_cell_length_c                   12.3655(17)
_cell_measurement_reflns_used    945
_cell_measurement_temperature    102.45(10)
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_computing_cell_refinement
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CrysAlisPro, Agilent Technologies,
Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)
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CrysAlisPro, Agilent Technologies,
Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)
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CrysAlisPro, Agilent Technologies,
Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)
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O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_publication_material
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_structure_refinement
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olex2.refine (L.J. Bourhis, O.V. Dolomanov, R.J. Gildea, J.A.K. Howard,
H. Puschmann, in preparation, 2011)
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olex2.solve (L.J. Bourhis, O.V. Dolomanov, R.J. Gildea, J.A.K. Howard,
H. Puschmann, in preparation, 2011)
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  1 omega  -86.00   17.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
    -      -21.2308  -19.0000   90.0000 103

  2 omega -110.00  -45.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
    -      -21.2308  179.0000  -60.0000 65

  3 omega   51.00   96.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
    -       22.6371 -179.0000    0.0000 45
;
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_diffrn_source                   'Enhance (Mo) X-ray Source'
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CrysAlisPro, Agilent Technologies,
Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)
(compiled Oct 27 2011,15:02:11)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
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_exptl_crystal_density_diffrn    1.4173
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'w=1/[\s^2^(Fo^2^)+(0.1P)^2^] where P=(Fo^2^+2Fc^2^)/3'
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_cod_depositor_comments
'Adding full bibliography for 7218609--7218610.cif.'
_cod_database_code               7218610
_chemical_oxdiff_formula         C7N1O2H7
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