Structural studies of benzene derivatives. III. The crystal and molecular structure of <i>p</i>-nitrobenzamide

Rienzo, F. Di; Domenicano, Aldo; Serantoni, E. Foresti

doi:10.1107/s0567740877012217

Cited by 25 publications

(6 citation statements)

References 6 publications

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“…The cell parameters were derived by a leastsquares fit to the measured 0 values for 15 accurately * Part III: Di Rienzo, Domenicano & Foresti Serantoni (1977). centred reflexions, lying in the 0 range 17.5-20 ° and well distributed in reciprocal space.…”

Section: Methodsmentioning

confidence: 99%

“…As a part of our research programme of accurate determination of the molecular structures of benzene derivatives (Di Rienzo, Domenicano & Foresti Serantoni, 1977, and references therein; Colapietro, Di Rienzo, Domenicano, Portalone & Riva di Sanseverino, 1977) we report here the molecular structure of crystalline pmethoxybenzoic acid, as obtained from a new X-ray diffraction study.…”

Section: Introductionmentioning

confidence: 99%

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Structural studies of benzene derivatives. IV. Refinement of the crystal structure of p-methoxybenzoic acid

Colapietro¹,

Domenicano²

1978

Acta Crystallogr B Struct Sci

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The molecular geometry ofp-methoxybenzoic acid has been accurately determined in the solid state by a fullmatrix least-squares refinement of the atomic parameters given by Bryan [J. Chem. Soc. B (1967) The internal angles at the ipso atoms are % . = 120.2 (2) °, ~tcooH = 118.9 (2) °. Evidence is provided for C H~ .the existence of a measurable effect of the para substltuent on %ooH m para-substituted benzoic acids.

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Section: Methodsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Structural studies of benzene derivatives. IV. Refinement of the crystal structure of p-methoxybenzoic acid

Colapietro¹,

Domenicano²

1978

Acta Crystallogr B Struct Sci

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“…Results have been presented for p-nitrobenzoic acid (Colapietro & Domenicano, and p-nitrobenzamide (Di Rienzo, Domenicano & Foresti Serantoni, 1977); here we * Part VII: Colapietro, Domenicano & Portalone (1980). 0567-7408/80/030586-06501.00 report the structure of p-dinitrobenzene.…”

Section: Introductionmentioning

confidence: 96%

Structural studies of benzene derivatives. VII. Refinement of the crystal structure of p-dinitrobenzene

Rienzo¹,

Domenicano²,

Sanseverino³

1980

Acta Crystallogr Sect B

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C6H4N204 is monoclinic, space group P21/n , with a = 11.137(2), b = 5.461 (1), c = 5.684(3) /l,, fl = 92.22 (4) ° , Z = 2. The final R is 0.0408 for 559 independent counter intensities. The benzene ring has mmm symmetry within experimental error. The distortions from 6/mmm symmetry are quite marked, and involve bond lengths as well as angles; they testify to the strong a-electron-withdrawing character of the substituent. The value of the internal angle at the ipso atom, CtNo 2 = 123.4 (1) °, is in good agreement with values reported for other molecules where the nitro group is para to a 7r acceptor.

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“…The full extent of the conjugated system embraces the amide group, whose atoms lie close to the plane of the rings. However, the degree of conjugation between amide group and ring system may be low, as indicated by the C(6)-C(10) bond length [1.502 (3)Al which matches well with lengths of exocyclic bonds in a group of aromatic amides including p-nitrobenzamide [1.501 (2)A] (Di Rienzo, Domenicano & Serantoni, 1977) rather than bonds in 5-amino-l-fl-t)-ribofuranosylimidazole-4-carboxamide and its 5'-(dihydrogen phosphate) 11.437(6) and 1.455 (9)AI (Adamiak & Saenger, 1979). In TDC, therefore, the coplanarity of amide and rings is more likely due to hydrogen bonding, including the internal N(11)... N(7) hydrogen bond, than conjugation, and the ring dimensions are likely to be little affected by the 6-carbamoyl substituent.…”

Section: "Imentioning

confidence: 79%

2,2,8,9-Tetramethyl-1,2-dihydropurine-6-carboxamide

Beagley¹,

Booth²,

Pritchard³

et al. 1982

Acta Crystallogr Sect B

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Fig. 3. A stereoscopic projection on the bc plane displaying one layer of crystal packing. The tilt of the acridine molecules with respect to the PMDA molecules can be seen clearly.The 2:1 donor-acceptor complex can be appropriately characterized as a sandwich of one acceptor between two donor molecules, Fig. 3. A schematic drawing of the packing and of the dipole orientations is displayed in Fig. 4. The angle between the plane normals of the donor and acceptor molecules is 7.3°. The average distance of an Ac atom (excluding H atoms) from the plane of the acceptor is 3.434 A, which is approximately 0.1 A greater than that in the 1:1 complex. The angle between the intrasandwich stack axis (as determined from the coordinates of the molecular centroids neglecting H atoms) and the plane of the acceptor molecule is ca 25 o.Space-group symmetry (e.g. the glide reflection operator) generates a second unit of the complex as

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Structural studies of benzene derivatives. III. The crystal and molecular structure of p-nitrobenzamide

Cited by 25 publications

References 6 publications

Structural studies of benzene derivatives. IV. Refinement of the crystal structure of p-methoxybenzoic acid

Structural studies of benzene derivatives. IV. Refinement of the crystal structure of p-methoxybenzoic acid

Structural studies of benzene derivatives. VII. Refinement of the crystal structure of p-dinitrobenzene

2,2,8,9-Tetramethyl-1,2-dihydropurine-6-carboxamide

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