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4-tert-Butyl-amino-3-nitro-benzoic acid.

Narendra Babu SN, Abdul Rahim AS, Abd Hamid S, Jebas SR, Fun HK - Acta Crystallogr Sect E Struct Rep Online (2009)

Bottom Line: In the crystal packing, the mol-ecules are linked together by O-H⋯O hydrogen bonds, forming dimers with graph-set motif R(2) (2)(8) which propagate along the a-axis direction.C-H⋯O contacts link adjacent dimers with a graph-set motif C(2) (2)(7), forming chains along b, and further consolidate the structure into a three-dimensional network.The crystal packing is further strengthened by short inter-molecular O⋯O=C [2.655 (4) Å] contacts.

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ABSTRACT
In the title compound, C(11)H(14)N(2)O(4), all non-H atoms lie in a mirror plane except for one of the methyl groups which deviates from the mirror plane by 0.919 (3) Å and is twisted by a torsion angle of 62.9 (2)°. An intra-molecular N-H⋯O hydrogen bond generates an S(6) ring motif. In the crystal packing, the mol-ecules are linked together by O-H⋯O hydrogen bonds, forming dimers with graph-set motif R(2) (2)(8) which propagate along the a-axis direction. C-H⋯O contacts link adjacent dimers with a graph-set motif C(2) (2)(7), forming chains along b, and further consolidate the structure into a three-dimensional network. The crystal packing is further strengthened by short inter-molecular O⋯O=C [2.655 (4) Å] contacts.

No MeSH data available.


Related in: MedlinePlus

The molecular structure of (I), showing 50% probability displacement ellipsoids and the atom numbering scheme. Intramolecular hydrogen bonding is shown as a dashed line. [Symmetry code used to generate methyl moiety C9A: x, -y + 1, z]
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Fap1: The molecular structure of (I), showing 50% probability displacement ellipsoids and the atom numbering scheme. Intramolecular hydrogen bonding is shown as a dashed line. [Symmetry code used to generate methyl moiety C9A: x, -y + 1, z]


4-tert-Butyl-amino-3-nitro-benzoic acid.

Narendra Babu SN, Abdul Rahim AS, Abd Hamid S, Jebas SR, Fun HK - Acta Crystallogr Sect E Struct Rep Online (2009)

The molecular structure of (I), showing 50% probability displacement ellipsoids and the atom numbering scheme. Intramolecular hydrogen bonding is shown as a dashed line. [Symmetry code used to generate methyl moiety C9A: x, -y + 1, z]
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC2969589&req=5

Fap1: The molecular structure of (I), showing 50% probability displacement ellipsoids and the atom numbering scheme. Intramolecular hydrogen bonding is shown as a dashed line. [Symmetry code used to generate methyl moiety C9A: x, -y + 1, z]
Bottom Line: In the crystal packing, the mol-ecules are linked together by O-H⋯O hydrogen bonds, forming dimers with graph-set motif R(2) (2)(8) which propagate along the a-axis direction.C-H⋯O contacts link adjacent dimers with a graph-set motif C(2) (2)(7), forming chains along b, and further consolidate the structure into a three-dimensional network.The crystal packing is further strengthened by short inter-molecular O⋯O=C [2.655 (4) Å] contacts.

View Article: PubMed Central - HTML - PubMed

ABSTRACT
In the title compound, C(11)H(14)N(2)O(4), all non-H atoms lie in a mirror plane except for one of the methyl groups which deviates from the mirror plane by 0.919 (3) Å and is twisted by a torsion angle of 62.9 (2)°. An intra-molecular N-H⋯O hydrogen bond generates an S(6) ring motif. In the crystal packing, the mol-ecules are linked together by O-H⋯O hydrogen bonds, forming dimers with graph-set motif R(2) (2)(8) which propagate along the a-axis direction. C-H⋯O contacts link adjacent dimers with a graph-set motif C(2) (2)(7), forming chains along b, and further consolidate the structure into a three-dimensional network. The crystal packing is further strengthened by short inter-molecular O⋯O=C [2.655 (4) Å] contacts.

No MeSH data available.


Related in: MedlinePlus