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7-Chloro-4-phenethyl-2H-1,4-benzoxazin-3(4H)-one.

ABSTRACT: In the crystal structure of title compound, C(16)H(14)ClNO(2), the dihedral angle between the aromatic rings is 4.2?(2)°.

SUBMITTER: Chen MJ

PROVIDER: S-EPMC2968783 | biostudies-literature |

REPOSITORIES: biostudies-literature

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6-Chloro-2H-1,4-benzoxazin-3(4H)-one.

Project description:In the title compound, C(8)H(6)ClNO(2), the conformation of the six-membered heterocyclic ring is close to screw boat and the mol-ecules are linked via inter-molecular N-H⋯O hydrogen bonds along the b axis.

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8-Chloro-4-cyclo-hexyl-2H-1,4-benzoxazin-3(4H)-one.

Project description:In the crystal structure of title compound, C(14)H(16)ClNO(2), the cyclo-hexyl ring is in a chair conformation. The molecules are connected into centrosymmetric dimers via weak C-H⋯O hydrogen bonds.

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4-Benzyl-7-chloro-2H-1,4-benz-oxazin-3(4H)-one.

Project description:In the title compound, C(15)H(12)ClNO(2), the two benzene rings are nearly perpendicular to each other [dihedral angle = 89.99 (13)°]. The O atom of the six-membered heterocyclic ring is disordered over two sites in a ratio of 0.46 (4):0.54 (4) and is displaced from the mean plane formed by other five atoms, resulting an envelope conformation of the six-membered hetercycle ring.

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2-(4-Chloro-benzoyl-meth-yl)-2H-1,4-benzothia-zin-3(4H)-one.

Project description:The six-membered heterocyclic ring in the title compound, C(16)H(12)ClNO(2)S, exists in a conformation intermediate between twist-boat and chair. A one-dimensional chain structure is formed as a result of inter-molecular N-H⋯O and C-H⋯O hydrogen bonds via crystallographic inversion symmetry and translation along the a axis.

| S-EPMC2960954 | biostudies-literature

2-Benzoyl-2H-1,4-benzothia-zin-3(4H)-one.

Project description:In the title compound, C(15)H(11)NO(2)S, the dihedral angle between the aromatic rings is 80.35?(7)°. The heterocyclic six-membered ring is not planar: the puckering parameters of this ring are Q = 0.5308?(15)?Å, ? = 63.11?(18) and ? = 23.5?(2)°. The mol-ecules are linked into inversion dimers with R(2) (2)(8) ring motifs by pairs of N-H?O hydrogen bonds. The dimers are inter-linked into polymeric sheets extending parallel to the bc plane by C-H?O hydrogen bonds, generating R(2) (1)(7) ring motifs. ?-? inter-actions occur between the benzoyl phenyl rings with centroid-centroid separations of 3.9187?(15)?Å.

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2-Phenyl-4H-3,1-benzoxazin-4-one.

Project description:The title mol-ecule, C(14)H(9)NO(2), is nearly planar with a dihedral angle of 3.72?(4)° beteewn the plane of the phenyl ring and the 3,1-benzoxazin-4-one fragment. The mol-ecules are arranged into stacks parallel to the b axis via ?-? stacking inter-actions [centroid-centroid distance = 4.2789?(11)?Å] and the crystal packing is additionally stabilized by weak inter-molecular C-H?O inter-actions.

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(S)-6-Chloro-4-cyclo-propyl-ethynyl-4-trifluoro-methyl-1H-3,1-benzoxazin-2(4H)-one.

Project description:Two independent mol-ecules comprise the crystallographic asymmetric unit in the title anti-retroviral agent Efavirenz, C(14)H(9)ClF(3)NO(2), and these have noteworthy differences in conformation. The major difference relates to the orientation of the 2-cyclo-propyl-ethynyl residue relative to the six-membered heterocycle: this approaches an orthogonal disposition in mol-ecule a compared to a more flattened conformation in mol-ecule b, the difference being reflected in the O(ring)-C-C-C(ethyne) torsion angles of 65 (4) and 159 (5)°, respectively. The independent mol-ecules are connected via the eight-membered {⋯HNC (O)}(2) amide synthon. Disorder is noted in the cyclo-propane ring of mol-ecule b in that two orientations of equal weight were discerned.

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4-(Prop-2-yn-yl)-2H-1,4-benzo-thia-zin-3(4H)-one.

Project description:In the title compound, C11H9NOS, the six-membered heterocycle of the benzo-thia-zine fragment exhibits a screw-boat conformation. The benzene ring makes a dihedral angle of 79.4?(1)° with the mean plane through the prop-2-ynyl chain and the ring N atom. In the crystal, mol-ecules are linked by C-H?O inter-actions of the acetyl-enic C-H group towards the carbonyl O atom of a neighbouring mol-ecule, forming zigzag chains running along the b-axis direction.

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4-(1H-Benzimidazol-2-ylmeth-yl)-2H-1,4-benzothia-zin-3(4H)-one.

Project description:In the title compound, C(16)H(13)N(3)OS, the thio-morpholine ring exists in a screw boat conformation. The angle between the benzimidazole ring system and the benzene ring fused to the thia-zine ring is 67.22?(6)°. In the crystal, mol-ecules form infinite chains along the a axis via inter-molecular N-H?N inter-actions. C-H?? inter-actions also contribute to the stability of the crystal structure.

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Crystal structure of 4-benzyl-2H-benzo[b][1,4]thia-zin-3(4H)-one.

Project description:In the title compound, C15H13NOS, the thia-zine ring adopts a twisted boat conformation and the dihedral angle between the aromatic rings is 86.54 (4)°. In the crystal, mol-ecules are linked by weak C-H⋯O inter-actions, resulting in chains along [010].

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