In the crystal structure of the title compound, C 11 H 10 N 3 O 4 S + Á-Cl À Á0.5H 2 O, there are two formula units in the asymmetric unit. A network of N-HÁ Á ÁCl, N-HÁ Á ÁO and O-HÁ Á ÁCl hydrogen bonds helps to establish the crystal packing. The nitro group of one of the organic cations is disord
4-Hydroxyimino-2-phenylperhydroquinolinium chloride hemihydrate
✍ Scribed by Thiruvalluvar, A. ;Natarajan, D.
- Publisher
- International Union of Crystallography
- Year
- 2007
- Tongue
- English
- Weight
- 644 KB
- Volume
- 63
- Category
- Article
- ISSN
- 1600-5368
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✦ Synopsis
The title compound, C~15~H~21~N~2~O^+^·Cl^−^·0.5H~2~O, crystallizes with two cations, two anions and one water molecule in the asymmetric unit. Both the piperidine and cyclohexane rings adopt chair conformations and the oxime groups are basically planar. The cyclohexane ring is equatorially oriented with respect to the piperidine ring. The crystal structure is stabilized by N—H...Cl, C—H...Cl, C—H...O, N—H...N and O—H...Cl hydrogen bonds. A water molecule that bridges the two crystallographically independent chloride anions via hydrogen bonds is disordered over two chemically equivalent sites, with occupancy factors of ca 0.9:0.1.
📜 SIMILAR VOLUMES
The title compound, C~7~H~8~NO~3~ ^+^·Cl^−^·0.5H~2~O, features inter- and intramolecular O—H...Cl and N—H...O hydrogen bonds, linking the molecules into a three-dimensional network. The water molecule is located on a crystallographic twofold rotation axis.
Excluding H atoms, the title molecule, C 12 H 15 O 3 N 3 , is approximately planar. Glide-related molecules are linked by intermolecular OÐHÁ Á ÁO hydrogen bonds into a chain structure running along [101]. The crystal packing is further stabilized by %±% interactions.
The asymmetric unit of (I), showing the atom-labelling scheme. Displacement ellipsoids are drawn at the 50% probability level. H atoms are shown as circles of arbitrary radii.
## Abstract __N__‐Benzyloxy‐3‐hydroxycarbonsäureamide **7** reagieren mit Phosgen unter geeigneten Bedingungen zu 3‐Benzyloxy‐5,6‐dihydro‐2__H__‐1,3‐oxazin‐2,4(3__H__)‐dionen **8** und 4‐Benzyloxyimino‐1,3‐dioxan‐2‐onen **6**. Die katalytische Hydrierung von **6** ergibt 4‐Hydroxyimino‐1,3‐dioxan‐2