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6-Amino-3-methyl-4-(3,4,5-tri-meth-oxy-phen-yl)-2,4-di-hydro-pyrano[2,3-c]pyrazole-5-carbo-nitrile.

ABSTRACT: In the title compound, C17H18N4O4, the dihedral angle between the benzene ring and 2,4-di-hydro-pyrano[2,3-c]pyrazole ring system is 89.41?(7)°. The pyran moiety adopts a strongly flattened boat conformation. In the crystal, mol-ecules are linked by N-H?N, N-H?O, C-H?N and C-H?O hydrogen bonds into an infinite two-dimensional network parallel to (110). There are ?-? inter-actions between the pyrazole rings in neighbouring layers [centroid-centroid distance = 3.621?(1)?Å].

SUBMITTER: Sharma N

PROVIDER: S-EPMC4158517 | biostudies-literature | 2014 Aug

REPOSITORIES: biostudies-literature

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6-Amino-3-methyl-4-(3,4,5-tri-meth-oxy-phen-yl)-2,4-di-hydro-pyrano[2,3-c]pyrazole-5-carbo-nitrile.

Sharma Naresh N Brahmachari Goutam G Banerjee Bubun B Kant Rajni R Gupta Vivek K VK

Acta crystallographica. Section E, Structure reports online 20140723 Pt 8

In the title compound, C17H18N4O4, the dihedral angle between the benzene ring and 2,4-di-hydro-pyrano[2,3-c]pyrazole ring system is 89.41 (7)°. The pyran moiety adopts a strongly flattened boat conformation. In the crystal, mol-ecules are linked by N-H⋯N, N-H⋯O, C-H⋯N and C-H⋯O hydrogen bonds into an infinite two-dimensional network parallel to (110). There are π-π inter-actions between the pyrazole rings in neighbouring layers [centroid-centroid distance = 3.621 (1) Å]. ...[more]

PMID: 25249920

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Crystal structure of 6-amino-4-(3-bromo-4-meth-oxy-phen-yl)-3-methyl-2,4-di-hydro-pyrano[2,3-c]pyrazole-5-carbo-nitrile dimethyl sulfoxide monosolvate.

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Project description:In the title mol-ecule, C23H14N2O2, the atoms in the carbazole unit deviate from planarity [maximum deviation from mean plane = 0.1018 (8) Å]. The pyrrole ring makes dihedral angles of 4.44 (5), 3.84 (5), 2.18 (5) and 56.44 (5)° with the pyran, fused benzene rings and phenyl ring, respectively. In the crystal, pairs of N-H⋯O hydrogen bonds generate R 2 (2)(14) loops and a C-H⋯N inter-action is also found. Mol-ecules are further linked by a number of π-π interactions [centroid-centroid distances vary from 3.5702 (5) to 3.7068 (6) Å], forming a three-dimensional network.

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1-(2,4-Di-nitro-phen-yl)-2-[(E)-(3,4,5-tri-meth-oxy-benzyl-idene)]hydrazine.

Project description:Mol-ecules of the title compound, C16H16N4O7, are not planar with a dihedral angle of 5.50 (11)° between the substituted benzene rings. The two meta-meth-oxy groups of the 3,4,5-tri-meth-oxy-benzene moiety lie in the plane of the attached ring [Cmeth-yl-O-C-C torsion angles -0.1 (4)° and -3.7 (3)°] while the para-meth-oxy substituent lies out of the plane [Cmeth-yl-O-C-C, -86.0 (3)°]. An intra-molecular N-H⋯O hydrogen bond involving the 2-nitro substituent generates an S(6) ring motif. In the crystal structure, mol-ecules are linked by weak C-H⋯O inter-actions into screw chains, that are arranged into a sheet parallel to the bc plane. These sheets are connected by π-π stacking inter-actions between the nitro and meth-oxy substituted aromatic rings with a centroid-centroid separation of 3.9420 (13) Å. C-H⋯π contacts further stabilize the two-dimensional network.

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Crystal structure of 2-(p-tol-yl)-6-(tri-fluoro-meth-yl)benzo[b]thio-phene-3-carbo-nitrile.

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