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N-(7-Dibromo-methyl-5-methyl-1,8-naphthyridin-2-yl)acetamide-pyrrolidine-2,5-dione (1/1).

ABSTRACT: In the title co-crystal, C(12)H(11)Br(2)N(3)O·C(4)H(5)NO(2), the naphthyridine derivative and the pyrrolidine-2,5-dione mol-ecules have crystallographic mirror-plane symmetry with all non-H atoms, except the Br atom, located on the mirror plane. In the crystal, N-H?N, N-H?O and C-H?O hydrogen bonds link the mol-ecules into heterodimers. These dimers are further linked into a one-dimensional structure along [010] by weak C-Br?O inter-actions [Br?O = 3.028?(5)?Å and C-Br?O = 158.52?(4)°].

SUBMITTER: Gou GZ

PROVIDER: S-EPMC3569222 | biostudies-literature | 2013 Feb

REPOSITORIES: biostudies-literature

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N-(7-Dibromo-methyl-5-methyl-1,8-naphthyridin-2-yl)acetamide-pyrrolidine-2,5-dione (1/1).

Gou Gao-Zhang GZ Kou Jun-Feng JF Zhou Qing-Di QD Chi Shao-Ming SM

Acta crystallographica. Section E, Structure reports online 20130104 Pt 2

In the title co-crystal, C(12)H(11)Br(2)N(3)O·C(4)H(5)NO(2), the naphthyridine derivative and the pyrrolidine-2,5-dione mol-ecules have crystallographic mirror-plane symmetry with all non-H atoms, except the Br atom, located on the mirror plane. In the crystal, N-H⋯N, N-H⋯O and C-H⋯O hydrogen bonds link the mol-ecules into heterodimers. These dimers are further linked into a one-dimensional structure along [010] by weak C-Br⋯O inter-actions [Br⋯O = 3.028 (5) Å and C-Br⋯O = 158.52 (4)°]. ...[more]

PMID: 23424445

Similar Datasets

Crystal structure of N-(7-di-bromo-methyl-5-methyl-1,8-naphthyridin-2-yl)benzamide-pyrrolidine-2,5-dione (1/1).

Project description:The title compound, C17H13Br2N3O·C4H5NO2, is a co-crystal of N-(7-di-bromo-methyl-5-methyl-1,8-naphthyridin-2-yl)benzamide and pyrrolidine-2,5-dione (succinimide). The benzamide mol-ecule exhibits pseudo-mirror symmetry, with an r.m.s. deviation of the non-H atoms of 0.09?Å (except for the two Br atoms). The angle between the least-squares planes of the two mol-ecules is 26.2?(2)°. In the crystal, the two mol-ecules are mutually linked by N-H?O and N-H?N hydrogen bonds. The packing is consolidated by C-H?(O,N) hydrogen bonds and ?-? stacking inter-actions.

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N-(7-Methyl-1,8-naphthyridin-2-yl)acetamide-acetic acid (1/1).

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Crystal structures of the dioxane hemisolvates of N-(7-bromo-methyl-1,8-naphthyridin-2-yl)acetamide and bis-[N-(7-di-bromo-methyl-1,8-naphthyridin-2-yl)acetamide].

Project description:The syntheses and crystal structures of N-(7-bromo-methyl-1,8-naphthyridin-2-yl)acetamide dioxane hemisolvate, C11H10BrN3O·0.5C4H8O2, (I), and bis-[N-(7-di-bromo-methyl-1,8-naphthyridin-2-yl)acetamide] dioxane hemisolvate, 2C11H9Br2N3O·0.5C4H8O2, (II), are described. The mol-ecules adopt a conformation with the N-H hydrogen pointing towards the lone electron pair of the adjacent naphthyridine N atom. The crystals of (I) are stabilized by a three-dimensional supra-molecular network comprising N-H⋯N, C-H⋯N and C-H⋯O hydrogen bonds, as well as C-Br⋯π halogen bonds. The crystals of compound (II) are stabilized by a three-dimensional supra-molecular network comprising N-H⋯N, C-H⋯N and C-H⋯O hydrogen bonds, as well as C-H⋯π contacts and C-Br⋯π halogen bonds. The structure of the substituent attached in the 7-position of the naphthyridine skeleton has a fundamental influence on the pattern of inter-molecular noncovalent bonding. While the Br atom of (I) participates in weak C-Br⋯Oguest and C-Br⋯π contacts, the Br atoms of compound (II) are involved in host-host inter-actions via C-Br⋯O=C, C-Br⋯N and C-Br⋯π bonding.

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1-(3-Pyrid-yl)pyrrolidine-2,5-dione.

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Project description:In the mol-ecular structure of title compound, C(18)H(13)NO(2), the succinimide ring is orientated away from the plane of the anthracene moiety by 71.94?(4)°. The crystal structure features three different types of inter-molecular inter-actions, viz. C-H?O, C-H?? and ?-? bonds. Mol-ecules along the b axis stack on each other as a result of ?-? inter-actions which have a centroid-centroid distance of 3.6780?(15)?Å, while C-H?? inter-actions are present between neigbouring stacks. Also, acting between the stacks are the C-H?O inter-actions between the aromatic H atoms of the anthracene and the O atoms of the succinimide.

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Pyrrolidine-2,5-dione.

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1-(4-Meth-oxy-phen-yl)pyrrolidine-2,5-dione.

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(E)-3-(Oxolan-2-yl-idene)-1-phenyl-pyrrolidine-2,5-dione.

Project description:In the title compound, C14H13NO3, the dihedral angles between the central pyrrolidine ring and the pendant tetra-hydro-furan and phenyl rings are 5.34?(18) and 58.99?(17)°, respectively. The tetra-hydro-furan ring is almost planar (r.m.s. deviation = 0.008?Å). In the crystal, mol-ecules are linked by C-H?O inter-actions, generating a three-dimensional network.

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1-(4-Iodo-3-phenyl-isoquinolin-1-yl)pyrrolidine-2,5-dione.

Project description:In the title compound, C(19)H(13)IN(2)O(2), the isoquinoline ring makes dihedral angles of 55.92?(3)° and 76.11?(3)° with the benzene and succinimide rings, respectively. The dihedral angle between the benzene and succinimide rings is 70.37?(3)°. In the crystal structure, the iodo atom deviates from the isoquinoline plane by 0.163?(1)?Å. The crystal studied was found to be a racemic twin with a domain ratio of 0.41?(5):0.59?(5).

| S-EPMC2971248 | biostudies-literature

4-Chloro-3-fluoro-2-methyl-aniline-pyrrolidine-2,5-dione (1/1).

Project description:Chlorination of 3-fluoro-2-methyl-aniline with N-chloro-succinimide gave one major regioisomer whose structure was determined by X-ray crystallography. The product was found to have cocrystallized with succinimide, giving the title compound, C(7)H(7)ClFN·C(4)H(5)NO(2). The crystal structure is stabilized by N-H?O hydrogen-bonding and ?-? stacking inter-actions with a centroid-centroid distance of 3.4501?(8)?Å.

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