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4-(4-Fluoro-phen-yl)-6-methyl-amino-5-nitro-2-phenyl-4H-pyran-3-carbo-nitrile.

ABSTRACT: In the title compound, C19H14FN3O3, the central pyran ring adopts a boat conformation with the O atom and the quaternary C atom diagonally opposite displaced by 0.068?(1) and 0.075?(1)?Å, respectively, above the mean plane defined by the other four ring atoms. The co-planar atoms of the pyran ring and the fluoro-phenyl ring are nearly perpendicular, as evidenced by the dihedral angle of 87.11?(1)°. The amine group forms an intra-molecular N-H?O(nitro) hydrogen bond. In the crystal, mol-ecules are linked into parallel chains along [100] by weak N-H?N and C-H?N(nitro) hydrogen bonds, generating C(8) and C(9) graph-set motifs, respectively.

SUBMITTER: Vishnupriya R

PROVIDER: S-EPMC3647880 | biostudies-other | 2013 May

REPOSITORIES: biostudies-other

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4-(4-Fluoro-phen-yl)-6-methyl-amino-5-nitro-2-phenyl-4H-pyran-3-carbo-nitrile.

Vishnupriya R R Suresh J J Sivakumar S S Kumar R Ranjith RR Lakshman P L Nilantha PL

Acta crystallographica. Section E, Structure reports online 20130410 Pt 5

In the title compound, C19H14FN3O3, the central pyran ring adopts a boat conformation with the O atom and the quaternary C atom diagonally opposite displaced by 0.068 (1) and 0.075 (1) Å, respectively, above the mean plane defined by the other four ring atoms. The co-planar atoms of the pyran ring and the fluoro-phenyl ring are nearly perpendicular, as evidenced by the dihedral angle of 87.11 (1)°. The amine group forms an intra-molecular N-H⋯O(nitro) hydrogen bond. In the crystal, mol-ecules ar ...[more]

PMID: 23723846

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4-(4-Meth-oxy-phen-yl)-6-methyl-amino-5-nitro-2-phenyl-4H-pyran-3-carbonitrile.

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Crystal structure of 2-amino-7-hy-droxy-4-(4-hy-droxy-phen-yl)-4H-chromene-3-carbo-nitrile.

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Project description:In the title compound, C(23)H(22)N(2)O(3), the pyran ring adopts a twisted boat conformation. The tolyl rings and carboxyl-ate group are attached to the pyran ring with torsion angles of -77.1?(2), 59.5?(3) and 17.8?(3)°, respectively. The ethyl group is disordered over two orientations with a site-occupancy ratio of 0.508?(5):0.492?(5). In the crystal, mol-ecules are linked by N-H?N and N-H?O hydrogen bonds, generating a chain running the a axis. Weak C-H?O, C-H?N and C-H?? inter-actions are also observed.

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1-(4-Fluoro-phen-yl)-3-methyl-4-phenyl-sulfanyl-1H-pyrazol-5(4H)-one.

Project description:The title compound, C(16)H(13)FN(2)OS, has undergone enol-to-keto tautomerism during the crystallization process. The 1H-pyrazole-5-one ring [maximum deviation = 0.0198?(11)?Å] is inclined at angles of 33.10?(5) and 79.57?(5)° with respect to the fluoro-phenyl [maximum deviation = 0.0090?(12)?Å] and phenyl-thiol [maximum deviation = 0.0229?(3)?Å] rings attached to it. In the crystal, neighbouring mol-ecules are linked into inversion dimers, generating R(2) (2)(8) ring motifs. These dimers are further linked into two-dimensional arrays parallel to the bc plane via inter-molecular N-H?O, C-H?F and C-H?O hydrogen bonds. The crystal is further stabilized by weak ?-? [centroid-centroid distance = 3.6921?(7)?Å] and C-H?? inter-actions.

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