2‐Methoxy‐1‐methyl‐4‐nitro‐1 H ‐imidazole | Zendy

Kubicki Maciej | Zendy; Wagner Paweł | Zendy

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2‐Methoxy‐1‐methyl‐4‐nitro‐1 H ‐imidazole

Author(s) -

Kubicki Maciej,

Wagner Paweł

Publication year - 2007

Publication title -

acta crystallographica section e

Language(s) - English

Resource type - Journals

ISSN - 1600-5368

DOI - 10.1107/s1600536807027201

Subject(s) - dihedral angle , imidazole , nitro , van der waals force , chemistry , ring (chemistry) , crystallography , plane (geometry) , planar , medicinal chemistry , stereochemistry , mathematics , geometry , hydrogen bond , molecule , organic chemistry , alkyl , computer graphics (images) , computer science

The molecule of the title compound, C 5 H 7 N 3 O 3 , is approximately planar. The maximum deviation from the least‐squares plane calculated for all non‐H atoms is 0.054 (2) Å. The dihedral angles between the mean plane of the imidazole ring [planar within 0.0017 (6) Å] and the planes of the nitro and methoxy groups are 2.9 (1) and 1.2 (1)°, respectively. The molecules are held together by weak C—H...N and C—H...O interactions and by van der Waals forces.

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