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Diethyl 2-(2-nitro-benzyl-idene)malonate.

ABSTRACT: In the title compound, C(14)H(15)NO(6), the ethoxy-carbonyl groups adopt extended conformations. In the crystal, mol-ecules are linked into centrosymmetric dimers via pairs of C-H⋯O hydrogen bonds with a R(2) (2)(20) motif.

SUBMITTER: Thenmozhi S

PROVIDER: S-EPMC2969968 | biostudies-literature |

REPOSITORIES: biostudies-literature

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Diethyl 2-{4-diethyl-amino-2-[(dimethyl-carbamothio-yl)-oxy]benzyl-idene}malonate.

Project description:In the title compound, C(21)H(30)N(2)O(5)S, the plane of the dimeth-yl-thio-carbamic group makes a dihedral angle of 78.41?(7)° with the central benzene ring. One of the carbonyl groups in the ?,?-unsaturated malonate side chain makes a dihedral angle of 8.73?(10)° with the central benzene ring, while the other carbonyl group makes a dihedral angle of 81.52?(8)°.

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Diethyl 2-[(4-bromo-anilino)methyl-idene]malonate.

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N'-[(E)-4-(Diethyl-amino)benzyl-idene]-4-nitro-benzohydrazide monohydrate.

Project description:In the title compound, C(18)H(20)N(4)O(3)·H(2)O, the two aromatic rings are linked through a methyl-idenehydrazide fragment, which is fully extended with C-C-N-N, C-N-N=C and N-N=C-C torsion angles of 179.4?(2), 174.7?(2) and 178.3?(2)°, respectively. The dihedral angle between the two aromatic rings is 7.01?(8)°. In the crystal structure, the water of hydration is involved in extensive hydrogen bonding. Inter-molecular O-H?O, N-H?O and O-H?N hydrogen bonds link the components of the structure into a two-dimensional network and additional stabilization is provided by weak inter-molecular C-H?O hydrogen bonds.

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Diethyl 2-{[(4-meth-oxy-3-pyrid-yl)amino]-methyl-idene}malonate.

Project description:In the title mol-ecule, C(14)H(8)N(2)O(5), the amino group is involved in the formation an intra-molecular N-H?O hydrogen bond. In the crystal, weak inter-molecular C-H?O and C-H?N hydrogen bonds link the mol-ecules into ribbons along the b axis.

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2-(4-Nitro-benzyl-idene)malononitrile.

Project description:In the title compound, C(10)H(5)N(3)O(2), the benzyl-idene-malono-nitrile unit is nearly planar, with a maximum deviation of 0.129 (2) Å for a terminal N atom; the nitro group is approximately coplanar with the benzene ring [dihedral angle = 8.8 (3)°]. An intra-molecular C-H⋯N hydrogen bond stabilizes the mol-ecular conformation.

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N-(3-Nitro-benzyl-idene)aniline.

Project description:In the title compound, C(13)H(10)N(2)O(2), a Schiff base derivative, the dihedral angle between the two aromatic rings is 31.58 (3)°. The C=N double bond is essentially coplanar with the nitro-phenyl ring. The torsion angle of the imine double bond is 175.97 (13)°, indicating that the C=N double bond is in a trans configuration. The crystal structure is stabilized by C-H⋯O contacts and π-π inter-actions (centroid-centroid distances of 3.807 and 3.808Å).

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(E)-4-Nitro-N'-(3-nitro-benzyl-idene)benzohydrazide.

Project description:The title compound, C(14)H(10)N(4)O(5), has an E conformation with respect to the C=N bond. The dihedral angle between the benzene rings is 2.41?(14)°. In the crystal, mol-ecules are linked through N-H?O hydrogen bonds to form chains along the c axis. C-H?O inter-actions are also present, linking the chains to form a three-dimensional network.

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Benzyl 3-[(E)-2-nitro-benzyl-idene]dithio-carbazate.

Project description:The title compound, C(15)H(13)N(3)O(2)S(2), was obtained from a condensation reaction of benzyl dithio-carbazate and 2-nitro-benzaldehyde. In the mol-ecule, the nearly planar dithio-carbazate fragment [r.m.s deviation = 0.0264?Å] is oriented at dihedral angles of 7.25?(17) and 74.09?(9)°with respect to the two benzene rings. The nitro group is twisted by a dihedral angle of 22.4?(7)° to the attached benzene ring. The nitro-benzene ring and dithio-carbazate fragment are located on the opposite sides of the C=N bond, showing an E configuration. In the crystal, mol-ecules are linked via inter-molecular N-H?S hydrogen bonds, forming centrosymmetric supra-molecular dimers. Weak C-H?? inter-action is also observed in the crystal structure.

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2-[4-(Diethyl-amino)-benzyl-idene]malono-nitrile.

Project description:In the title compound, C(14)H(15)N(3), the diethyl-amino N atom, benzene ring, olefinic bond and cyano groups form an extended conjugated system, making the mol-ecule nearly planar: the dihedral angle between the benzene ring and the best plane throught the cyano groups is 4.93?(10)°, while the dihedral angle between the benzene ring and the plane through the diethyl-amino N atom and the two attached ethyl C atoms is 9.51?(14)°. In the crystal, inter-molecular C-H?? inter-actions stabilize the packing.

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