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3,5-Dimethyl-4-nitroso-1H-pyrazole.

ABSTRACT: In the unit cell of the title compound, C(5)H(7)N(3)O, there are two conformers (A and B) which differ in the position of the oxime group with respect to the protonated pyrazole nitro-gen (trans in the A conformer and cis in the B conformer) and in the geometric parameters. The oxime group exists in the nitroso form in both conformers. In the crystal, mol-ecules are linked by inter-molecular N-H?O and N-H?N hydrogen bonds into zigzag-like chains along the b axis.

SUBMITTER: Safyanova I

PROVIDER: S-EPMC3200577 | biostudies-literature | 2011 Sep

REPOSITORIES: biostudies-literature

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3,5-Dimethyl-4-nitroso-1H-pyrazole.

Safyanova Inna I Dudarenko Nikolay M NM Pavlenko Vadim A VA Iskenderov Turganbay S TS Haukka Matti M

Acta crystallographica. Section E, Structure reports online 20110831 Pt 9

In the unit cell of the title compound, C(5)H(7)N(3)O, there are two conformers (A and B) which differ in the position of the oxime group with respect to the protonated pyrazole nitro-gen (trans in the A conformer and cis in the B conformer) and in the geometric parameters. The oxime group exists in the nitroso form in both conformers. In the crystal, mol-ecules are linked by inter-molecular N-H⋯O and N-H⋯N hydrogen bonds into zigzag-like chains along the b axis. ...[more]

PMID: 22059058

Similar Datasets

Chloridotris(3,5-dimethyl-1H-pyrazole-?N)(formato-?O)copper(II)-dichlorido-bis(3,5-dimethyl-1H-pyrazole-?N)copper(II) (2/1).

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Bis(3,5-dimethyl-1H-pyrazole-?N)silver(I) hexa-fluorido-anti-monate.

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Project description:In the title compound, [Cu(C(2)H(3)O(2))(2)(C(5)H(8)N(2))(2)], the Cu(II) atom has a distorted tetra-gonal-bipyramidal geometry, with the equatorial plane formed by two N atoms belonging to two 3,5-dimethyl-1H-pyrazole ligands and two O atoms from two acetate anions. The second O atoms of the acetate groups provide elongated Cu-O axial contacts, so that the acetates appear to be coordinated in a pseudo-chelate fashion. The pyrazole ligands are situated in cis positions with respect to each other. In the crystal structure, mol-ecules are linked through inter-molecular N-H?O hydrogen bonds, forming a one-dimensional chain.

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Aqua-bis(3,5-dimethyl-1H-pyrazole-κN)(oxalato-κO,O')copper(II).

Project description:In the title compound, [Cu(C(2)O(4))(C(5)H(8)N(2))(2)(H(2)O)], the Cu(II) atom is coordinated in a slightly distorted square-pyramidal geometry by two N atoms belonging to the two 3,5-dimethyl-1H-pyrazole ligands, two O atoms of the oxalate anion providing an O,O'-chelating coordination mode, and an O atom of the water mol-ecule occupying the apical position. The crystal packing shows a well defined layer structure. Intra-layer connections are realised through a system of hydrogen bonds while the nature of the inter-layer inter-actions is completely hydro-phobic, including no hydrogen-bonding inter-actions.

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