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3,3'-(Ethane-1,2-di-yl)bis-(6-methyl-3,4-dihydro-2H-1,3-benzoxazine).

ABSTRACT: The asymmetric unit of the title compound, C(20)H(24)N(2)O(2), contains one half-mol-ecule, which is completed by inversion symmetry. In the crystal, mol-ecular chains are formed through non-classical C-H?O hydrogen bonds, formed between axial H atoms of the oxazine ring and a O atom of a neighboring mol-ecule.

SUBMITTER: Rivera A

PROVIDER: S-EPMC3213478 | biostudies-literature | 2011 Aug

REPOSITORIES: biostudies-literature

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3,3'-(Ethane-1,2-di-yl)bis-(6-methyl-3,4-dihydro-2H-1,3-benzoxazine).

Rivera Augusto A Camacho Jairo J Ríos-Motta Jaime J Pojarová Michaela M Dušek Michal M

Acta crystallographica. Section E, Structure reports online 20110713 Pt 8

The asymmetric unit of the title compound, C(20)H(24)N(2)O(2), contains one half-mol-ecule, which is completed by inversion symmetry. In the crystal, mol-ecular chains are formed through non-classical C-H⋯O hydrogen bonds, formed between axial H atoms of the oxazine ring and a O atom of a neighboring mol-ecule. ...[more]

PMID: 22091057

Similar Datasets

3,3'-(Ethane-1,2-di-yl)bis-(3,4-dihydro-2H-1,3-benzoxazine).

Project description:The title compound, C(18)H(20)N(2)O(2), was prepared by Mannich-type reaction of phenol, ethane-1,2-diamine and formaldehyde. The heterocyclic rings adopt half-chair conformations. The acyclic methyl-ene groups attached to the N atoms are in an axial position. In the crystal, weak C-H?O hydrogen bonds link the mol-ecules into dimers. These dimers are further connected via C-H?? contacts.

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3,3'-(Ethane-1,2-diyl)bis(6-meth-oxy-3,4-dihydro-2H-1,3-benzoxazine) mono-hydrate.

Project description:The asymmetric unit of the title compound, C(20)H(24)N(2)O(4)·H(2)O, contains one half-organic mol-ecule (an inversion centre generates the other half of the mol-ecule) and a half-mol-ecule of water (the O atom has site symmetry 2). The near planarity of the fused-benzene ring is illustrated by the very small deviations of all the atoms from the plane [largest deviation = 0.0092 (11) Å. The six-membered N,O-containing ring adopts a half-chair conformation. The observed N-CH(2) and CH(2)-O bond lengths can be correlated to the manifestation of an anomeric effect in the N-CH(2)-O unit. In the crystal, the mol-ecules are connected into zigzag chains parallel to [001] through O-H⋯N hydrogen bonds formed between the oxazinic N atom and the solvent water mol-ecule. The chains are consolidated by C-H⋯O inter-actions.

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3,3'-(p-Phenyl-ene)bis-(3,4-dihydro-2H-1,3-benzoxazine).

Project description:Mol-ecules of the title compound, C(22)H(20)N(2)O(2), are situated on crystallographic centres of symmetry. The oxazinane ring adopts a sofa conformation. Mol-ecules are linked into cyclic centrosymmetric dimers via C-H?O hydrogen bonds with the motif R(2) (2)(6). In addition to the C-H?O inter-actions, the crystal structure is also stabilized by C-H?? inter-actions.

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3,3'-Ethyl-enebis(3,4-dihydro-6-chloro-2H-1,3-benzoxazine).

Project description:The asymmetric unit of the title compound, C(18)H(18)Cl(2)N(2)O(2), contains one half of an independent mol-ecule, the other half being generated via a centre of inversion at the mol-ecular centroid. In the crystal structure, mol-ecular chains are formed through non-classical C-H? O hydrogen bonds between an axial H atom of the oxazine ring and the O atom of a neighbouring mol-ecule.

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Crystal structure and C-H⋯F hydrogen bonding in the fluorinated bis-benzoxazine: 3,3'-(ethane-1,2-di-yl)bis-(6-fluoro-3,4-di-hydro-2H-1,3-benzoxazine).

Project description:The title fluorinated bis-benzoxazine, C18H18F2N2O2, crystallizes with one half-mol-ecule in the asymmetric unit, which is completed by inversion symmetry. The fused oxazine ring adopts an approximately half-chair conformation. The two benzoxazine rings are oriented anti to one another around the central C-C bond. The dominant inter-molecular inter-action in the crystal structure is a C-H⋯F hydrogen bond between the F atoms and the axial H atoms of the OCH2N methyl-ene group in the oxazine rings of neighbouring mol-ecules. C-H⋯π contacts further stabilize the crystal packing.

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C-I⋯N short contacts as tools for the construction of the crystal packing in the crystal structure of 3,3'-(ethane-1,2-di-yl)bis-(6-iodo-3,4-di-hydro-2H-1,3-benzoxazine).

Project description:The asymmetric unit of the title compound, C18H18I2N2O2, consists of one half-mol-ecule, completed by the application of inversion symmetry. The mol-ecule adopts the typical structure for this class of bis-benxozazines, characterized by an anti orientation of the two benzoxazine rings around the central C-C bond. The oxazinic ring adopts a half-chair conformation. In the crystal, mol-ecules are linked by C-I⋯N short contacts [I⋯N = 3.378 (2) Å], generating layers lying parallel to the bc plane.

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3,3'-(Ethane-1,2-di-yl)bis-(2-thioxo-1,3-oxazolidin-4-one).

Project description:The asymmetric unit of the title compound, C(8)H(8)N(2)O(4)S(2), contains one half of a centrosymmetric mol-ecule. A short C⋯O distance of 3.012 (4) Å between the carbonyl groups of neighbouring mol-ecules indicates the presence of dipole-dipole inter-actions. The crystal packing exhibits also weak inter-molecular O⋯S [3.239 (3) Å] and C-H⋯O inter-actions.

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8-Meth-oxy-3-methyl-3,4-di-hydro-2H-1,3-benzoxazine.

Project description:The title compound, C10H13NO2, crystallizes with two crystallographically independent mol-ecules of similar geometry in the asymmetric unit; the six-membered oxazine rings adopts a half-chair conformation. Neither hydrogen bonds nor ?-? inter-actions are observed in the crystal structure.

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Crystal structure of 1,2-bis-(6-bromo-3,4-dihydro-2H-benz[e][1,3]oxazin-3-yl)ethane: a bromine-containing bis-benzoxazine.

Project description:The title benzoxazine molecule, C18H18Br2N2O2, was prepared by a Mannich-type reaction of 4-bromo-phenol with ethane-1,2-di-amine and formaldehyde. The title compound crystallizes in the monoclinic space group C2/c with a centre of inversion located at the mid-point of the C-C bond of the central CH2CH2 spacer. The oxazinic ring adopts a half-chair conformation. The structure is compared to those of other functionalized benzoxazines synthesized in our laboratory. In the crystal, weak C-H⋯Br and C-H⋯O hydrogen bonds stack the mol-ecules along the b-axis direction.

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tert-Butyl 6-amino-3,4-dihydro-2H-1,4-benzoxazine-4-carboxyl-ate.

Project description:The title mol-ecule, C(13)H(18)N(2)O(3), contains a benzene ring fused to an oxazine ring and one tert-but-oxy-carbonyl group bound to the N atom of the oxazine ring. A weak intra-molecular C-H?O inter-action occurs. In the crystal, inter-molecular N-H?O and C-H?O hydrogen bonds stack the mol-ecules down the b axis. Weak C-H?N contacts connect the stacks, generating a three-dimensional network.

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