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ABSTRACT: In the title compound, C14H13NO, the two six-membered rings make a dihedral angle of 52.8 (3)°. An intramolecular N—H...O hydrogen bond involving an amine H atom and the adjacent carbonyl O atom occurs. In the crystal, N—H...O and C—H...N intermolecular hydrogen bonds are observed, which may be effective in stabilizing the structure.
Acta Crystallographica Section E. 01/2010;
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ABSTRACT: The asymmetric unit of the title compound, C14H11NO2·0.33H2O, contains three 3-hydroxy-3-phenylisoindolin-1-one (HPIO) molecules and one water molecule. The three independent HPIO molecules differ in the orientations of hydroxy and phenyl groups substituted at the 3-position with respect to the planar [r.m.s. deviations of 0.0173, 0.0170 and 0.0102 Å] dihydroisoindolin-1-one ring system. In the crystal structure, molecules are linked into a three-dimensional network by O—H...O, N—H...O and C—H...O hydrogen bonds.
Acta Crystallographica Section E. 01/2009;
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ABSTRACT: The title compound, C11H9BrClN3O2, is an intermediate in the synthesis of Rynaxypyre, a new insecticidal anthranilic diamide used as a potent and selective ryanodine receptor activator. The dihedral angle between the aromatic ring planes is 78.7 (2)°.
Acta Crystallographica Section E. 01/2009;
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ABSTRACT: The asymmetric unit of the title compound, C22H16N2O4·2CH4O, contains one half-molecule and a methanol solvent molecule. The aromatic ring is oriented at a dihedral angle of 82.91 (3)° with respect to the planar indole ring systems. In the crystal structure, intermolecular O—H...O and N—H...O hydrogen bonds link the molecules into chains along the b axis.
Acta Crystallographica Section E. 01/2008;
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ABSTRACT: The asymmetric unit of the title compound, C8H4Br2O4·2H2O, contains one half-molecule of 2,5-dibromoterephthalic acid (DBTA) and one water molecule. The DBTA molecule is centrosymmetric. In the crystal structure, intermolecular O—H...O hydrogen bonds link the molecules, forming a three-dimensional framework.
Acta Crystallographica Section E. 01/2008;
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ABSTRACT: The dihydrofuran ring of the title compound, C9H9NO3, adopts an envelope conformation. The nitro group is twisted slightly away from the attached benzene ring [dihedral angle = 21.9 (1)°].
Acta Crystallographica Section E. 01/2008;
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ABSTRACT: In the organic molecule of the title compound, C19H25O2P·0.5H2O, the benzene rings are oriented at a dihedral angle of 54.04 (3)°. Intramolecular C—H...O hydrogen bonds result in the formation of two five-membered planar rings, which are oriented with respect to the adjacent benzene rings at dihedral angles of 2.66 (3) and 2.79 (3)°. In the crystal structure, intermolecular O—H...O hydrogen bonds link the molecules. The water oxygen atom lies on a twofold rotation axis.
Acta Crystallographica Section E. 01/2008;
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ABSTRACT: In the title compound, C11H14O5S, there is an intramolecular C—H...O hydrogen bond, for which the C—C—S—O torsion angle involving the acceptor and donor atoms is 2.4 (4)°. The dihedral angle between the benzene ring and the methoxycarbonyl plane is 52.7 (4)°. In the crystal structure, molecules are linked via intermolecular C—H...O hydrogen bonds, forming a molecular chain along the b axis.
Acta Crystallographica Section E. 01/2008;
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ABSTRACT: Molecules of the title compound, C24H28O12, are linked by intermolecular C—H...O hydrogen bonds. Bond lengths and angles are normal.
Acta Crystallographica Section E. 01/2008;
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ABSTRACT: The asymmetric unit of the title compound, C8H8BrI, contains three independent molecules. In each molecule, the Br, I and C atoms of the methyl groups lie in the benzene ring plane. Intramolecular C—H...I hydrogen bonds result in the formation of three planar five-membered rings, which are nearly coplanar with the adjacent rings.
Acta Crystallographica Section E. 01/2008;
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ABSTRACT: In the title compound, C15H12O3·H2O, the two rings are oriented at a dihedral angle of 69.12 (3)°. In the crystal structure, intermolecular O—H...O hydrogen bonds link the molecules into a three-dimensional framework.
Acta Crystallographica Section E. 01/2008;
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ABSTRACT: The title molecule, C16H16Br2O8, lies on a crystallographic twofold axis. Weak intramolecular C—H...O hydrogen bonds may, in part, control the conformation of the molecule. In the crystal structure, molecules are connected into a two-dimensional network via weak intermolecular C—H...O hydrogen bonds.
Acta Crystallographica Section E. 01/2008;
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ABSTRACT: The asymmetric unit of the title compound, C8H10BrN, contains two independent molecules. The Br, N and methyl group C atoms lie in the benzene ring planes. In the crystal structure, N—H...N hydrogen bonds link the molecules.
Acta Crystallographica Section E. 01/2008;
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ABSTRACT: The asymmetric unit of the title compound, C20H18N2O22+·2Cl−, is composed of one-half of the 2,5-dibenzoylbenzene-1,4-diaminium dication, located on a centre of inversion, and one Cl− ion. The dihedral angle between the central benzene ring and the benzoyl phenyl ring is 53.3 (2)°. In the crystal structure, ions are linked to form a two-dimensional network parallel to the (10overline{1}) plane by N—H...Cl hydrogen bonds.
Acta Crystallographica Section E. 01/2008;
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ABSTRACT: In the molecule of the title compound, C19H22N2O2, the pyrazolidinone ring has an envelope conformation, with the C atom attached to the 4-methoxyphenyl ring displaced by 0.354 (3) Å from the plane of the other ring atoms. The 4-isopropylphenyl ring is oriented with respect to the 4-methoxyphenyl ring at a dihedral angle of 88.94 (3)°. Intramolecular C—H...N hydrogen bonds result in the formation of two planar five-membered rings, which are oriented with respect to the adjacent 4-isopropylphenyl and 4-methoxyphenyl rings at dihedral angles of 4.05 (3) and 0.50 (3)°, respectively. In the crystal structure, intermolecular N—H...O hydrogen bonds link the molecules into centrosymmetric dimers.
Acta Crystallographica Section E. 01/2008;
