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

ABSTRACT: In the title adduct, C11H11N3O·C2H4O2, all non-H atoms of the acetamide mol-ecule are roughly coplanar, with an r.m.s. deviation of 0.0720?Å. The dihedral angle between the ring plane and the acetamide group is 8.5?(2)°. In the crystal, O-H?N and N-H?O hydrogen bonds link the acetamide and acetic acid mol-ecules.

SUBMITTER: Gou GZ

PROVIDER: S-EPMC3629523 | biostudies-literature | 2013 Apr

REPOSITORIES: biostudies-literature

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

Gou Gao-Zhang GZ Ma Rui R Zhou Qing-Di QD Chi Shao-Ming SM

Acta crystallographica. Section E, Structure reports online 20130306 Pt 4

In the title adduct, C11H11N3O·C2H4O2, all non-H atoms of the acetamide mol-ecule are roughly coplanar, with an r.m.s. deviation of 0.0720 Å. The dihedral angle between the ring plane and the acetamide group is 8.5 (2)°. In the crystal, O-H⋯N and N-H⋯O hydrogen bonds link the acetamide and acetic acid mol-ecules. ...[more]

PMID: 23634041

Similar Datasets

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.

| S-EPMC5730284 | biostudies-literature

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

Project description: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)°].

| S-EPMC3569222 | biostudies-literature

[4-(Methyl-sulfon-yl)phen-yl]acetic acid.

Project description:In the crystal structure of the title compound, C(9)H(10)O(4)S, centrosymmetrically related mol-ecules are linked into dimers by inter-molecular O-H⋯O hydrogen bonds. Unconventional C-H⋯O hydrogen-bond inter-actions are also present, connecting dimers into a three-dimensional network.

| S-EPMC2960061 | biostudies-literature

7-(2,2-Dimethylpropanamido)-2-methyl-1,8-naphthyridin-1-ium chloride monohydrate.

Project description:The asymmetric unit of the title compound, C(14)H(18)N(3)O(+)·Cl(-)·H(2)O, comprises a substituted amido-naphthyridine cation, a chloride anion and a water mol-ecule of crystallization. Intra-molecular C-H?O hydrogen bonds generate six-membered rings, producing an S(6) ring motif. The amido group is twisted from the naphthyridine ring, making a dihedral angle of 17.65?(7)°. The crystal structure is stabilized by inter-molecular N-H?O, N-H?Cl, O-H?Cl (× 2), and C-H?O (× 2) hydrogen bonds. These inter-actions linked neighbouring mol-ecules into chains along the a and b axes of the crystal, thus forming mol-ecular sheets parallel to the (001) plane.

| S-EPMC2968242 | biostudies-literature

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.

| S-EPMC5209757 | biostudies-literature

2,2'-Dimethyl-7,7'-(methyl-enediimino)di-1,8-naphthyridin-1-ium bis-(perchlorate).

Project description:In the title salt, C(19)H(20)N(6) (2+)·2ClO(4) (-), the two planar 1,8-naphthyridine systems are linked by a methyl-enediamine group with a dihedral angle of 60.6 (1)° between the two systems. The crystal structure involves extensive N-H⋯O and C-H⋯O hydrogen bonding.

| S-EPMC2960735 | biostudies-literature

N-(Pyrazin-2-yl)-1,8-naphthyridin-2-amine.

Project description:There are two independent mol-ecules in the asymmetric unit of the title compound, C12H9N5, in which the C-N(amine)-C angles differ slightly [129.63?(11) and 132.02?(11)°]. In each independent mol-ecule, an intra-molecular C-H?N hydrogen bond stabilizes the mol-ecular structure, forming an S(6) ring motif. The independent mol-ecules are linked via an N-H?N hydrogen bond. Further N-H?N and C-H?N hydrogen bonds connect the mol-ecules into chains along c axis. Pairs of C-H?? inter-actions between the chains lead to sheets parallel to the b axis. These are linked by ?-? inter-actions between the naphthyridine and pyrazine rings [centroid-centroid separations of 3.553?(8)?Å] into a three-dimensional supra-molecular network.

| S-EPMC3588492 | biostudies-other

7-[4-(5,7-Dimethyl-1,8-naphthyridin-2-yl-oxy)phen-oxy]-2,4-dimethyl-1,8-naphthyridine methanol disolvate.

Project description:The title compound, C(26)H(22)N(4)O(2)·2CH(3)OH, was synthesized and characterized by (1)H NMR spectroscopy and X-ray structure analysis. There is one half-mol-ecule in the asymmetric unit with a centre of symmetry located at the centre of the benzene ring. The two bridged naphthyridine ring systems are in an anti-parallel orientation. In the crystal structure, O-H?N, C-H?O and C-H?N inter-actions define the packing.

| S-EPMC2915306 | biostudies-literature

2-Chloro-7-methyl-12-phenyldibenzo[b,g][1,8]naphthyridin-11(6H)-one.

Project description:In the title compound, C(23)H(15)ClN(2)O, the fused ring system is planar: the deviation of all the non-H atoms from the plane through all four fused rings is less than 0.31?Å. The plane of the phenyl ring is inclined at 71.78?(5)° to the mean plane of the 1,8-naphthrydine ring system. The crystal structure is devoid of any classical hydrogen bonds but ?-? inter-actions are present.

| S-EPMC3007064 | biostudies-literature

2-(5-Methyl-3-methyl-sulfinyl-1-benzofuran-2-yl)acetic acid.

Project description:In the title compound, C(12)H(12)O(4)S, the O atom and the methyl group of the methyl-sulfinyl substituent are located on opposite sides of the plane of the benzofuran fragment. In the crystal structure, inter-molecular C-H⋯O and O-H⋯O hydrogen-bonding inter-actions are found. The structure also exhibits aromatic π-π inter-actions between the furan and benzene rings [centroid-centroid distance = 3.841 (5) Å].

| S-EPMC2969989 | biostudies-literature

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