The crystal and molecular structure of benzoic acid

Sim, G. A.; Robertson, John M.; Goodwin, T. H.

doi:10.1107/s0365110x55000601

Cited by 205 publications

(97 citation statements)

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“…The arrangement of the molecules in the unit cell is shown in Figure 2, where broken lines represent hydrogen bonds that connect the molecules of each dimer. As expected, S-butyl thiosalicylic acid crystalizes in the same monoclinic crystal system and P2 1 /c space group as was found for the crystal form of benzoic acid (28). The bond lengths and angles in the title compound are within the expected ranges (Table 3).…”

Section: Synthesis and Chemical Characterization S-alkyl (Alkyl = Bensupporting

confidence: 78%

Synthesis and Characterization of Platinum (IV) complexes with S-alkyl Derivatives of Thiosalicylic Acid and the Crystal Structure of the S-butyl Derivative of Thiosalicylic Acid

Mijajlović

Nikolić

Tomović

et al. 2017

Serbian Journal of Experimental and Clinical Research

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New platinum(IV)-complexes with S-alkyl derivatives of thiosalicylic acid (alkyl = benzyl-(L1), methyl-(L2), ethyl-(L3), propyl-(L4), butyl-(L5)) have been synthesized and characterized by microanalysis, infrared spectroscopy, and 1 H and 13 C NMR spectroscopy. Th e bidentate S,O ligand precursor, the S-butyl derivative of thiosalicylic acid (S-bu-thiosal), was prepared, and its crystal structure was determined. Single crystals suitable for X-ray measurements were obtained by slow crystallization from a DMSO-water system. S-bu-thiosal crystallized in a P2

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Section: Synthesis and Chemical Characterization S-alkyl (Alkyl = Bensupporting

confidence: 78%

Synthesis and Characterization of Platinum (IV) complexes with S-alkyl Derivatives of Thiosalicylic Acid and the Crystal Structure of the S-butyl Derivative of Thiosalicylic Acid

Mijajlović

Nikolić

Tomović

et al. 2017

Serbian Journal of Experimental and Clinical Research

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“…Experimental C-H distances taken from Ref. [26] are only estimates. The angles are well reproduced except O 2 C 1 C 2.…”

Section: Quantum Chemical Calculationsmentioning

confidence: 99%

“…It is present in the structure of the crystal [26][27][28]. Its proton transfer has been recently studied by inelastic neutron scattering by Plazanet et al [29] and Fillaux et al [30].…”

Section: Introductionmentioning

confidence: 99%

Theoretical Study of Multidimensional Proton Tunnelling in Benzoic Acid Dimer

Wójcik

Szczeponek

Boczar

2003

IJMS

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“…phthalic acid (Nowacki & Jaggi, 1957), benzoic acid (Sim, Robertson & Goodwin, 1955), acrylic acid (Higgs & Sass, 1963) and fumaric acid (Brown, 1966 Table 3, and the values for form I only are shown in Fig.3. Table 3.…”

Section: Unit-cell Dimensionsmentioning

confidence: 99%

The crystal structure of terephthalic acid

Bailey¹,

Brown²

1967

Acta Cryst

209

119

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NED C. WEBB AND RICHARD E. MARSH 387 C(5) and C(6) relatively large ones. The anisotropic parameters of the ruthenium atom correspond to values of B ranging from 2.8 (in a direction approximately parallel to e) to 2.0 (approximately along a). The disordered modificationof disorder was proposed by Trotter (1958) for bisindenyliron.In view of the near equality of the lengths of the c axes in the two modifications, there appears to be a simple relationship between the ordered and the disordered structures. This relationship is shown in Fig. 5.Visual intensity data for the hkO reflections of the disordered modification of bisindenylruthenium (see Experimental) were obtained from a set of Weissenberg photographs prepared with Cu Ka radiation. The Patterson projection onto (001) could be interpreted on the basis of four ruthenium atoms, each of half weight, in the unit cell; phases calculated from these ruthenium positions led to the electron-density projection shown in Fig.4. Since this projection is down a relatively short (6.2 A) axis, separate molecules must be resolved. Accordingly, it seems quite clear that each molecule can assume either of two orientations with equal probability, one orientation being related to the other by a twofold rotation about an axis perpendicular to the rings and passing approximately through the centers of the two C(8)-C (9) X-ray diffraction photographs of terephthalic acid have shown the existence of two polymorphic forms which have closely related triclinic unit-cell dimensions. The crystal structures of both these forms have been determined from two-dimensional data, and a full three-dimensional analysis, including the calculation of anisotropic temperature factors, has been carried out for one of these forms. The R index over 470 F(hkl) was 7.5 %. The bond lengths indicated a small amount of quinonoid character in the benzene ring, and a slight departure from planarity between the ring and the carboxyl groups. The molecules pack together in the crystal in systems of infinite chains linked together by double hydrogen bonds of length 2.608/~.

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The crystal and molecular structure of benzoic acid

Cited by 205 publications

References 0 publications

Synthesis and Characterization of Platinum (IV) complexes with S-alkyl Derivatives of Thiosalicylic Acid and the Crystal Structure of the S-butyl Derivative of Thiosalicylic Acid

Synthesis and Characterization of Platinum (IV) complexes with S-alkyl Derivatives of Thiosalicylic Acid and the Crystal Structure of the S-butyl Derivative of Thiosalicylic Acid

Theoretical Study of Multidimensional Proton Tunnelling in Benzoic Acid Dimer

The crystal structure of terephthalic acid

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