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(4-Fluoro-phen-yl)[6-(2-fur-yl)-7-nitro-2,3,4,6,7,8-hexa-hydro-1H-pyrido[1,2-a]pyrimidin-9-yl]methanone.

ABSTRACT: In the title compound, C(19)H(18)FN(3)O(4), the fused pyridine and pyrimidine rings adopt half-chair conformations. The structure displays intra-molecular N-H?O and inter-molecular N-H?F hydrogen bonding.

SUBMITTER: Yaqub M

PROVIDER: S-EPMC2977271 | biostudies-literature | 2009 Jul

REPOSITORIES: biostudies-literature

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(4-Fluoro-phen-yl)[6-(2-fur-yl)-7-nitro-2,3,4,6,7,8-hexa-hydro-1H-pyrido[1,2-a]pyrimidin-9-yl]methanone.

Yaqub Muhammad M Shafiq Zahid Z Qureshi Ashfaq M AM Najam-Ul-Haq Muhammad M

Acta crystallographica. Section E, Structure reports online 20090715 Pt 8

In the title compound, C(19)H(18)FN(3)O(4), the fused pyridine and pyrimidine rings adopt half-chair conformations. The structure displays intra-molecular N-H⋯O and inter-molecular N-H⋯F hydrogen bonding. ...[more]

PMID: 21583564

Similar Datasets

[6-(Furan-2-yl)-7-nitro-2,3,4,6,7,8-hexa-hydro-1H-pyrido[1,2-a]pyrimidin-9-yl](phen-yl)methanone.

Project description:The asymmetric unit of the title compound, C19H19N3O4, contains two mol-ecules with very few conformational differences; a C atom in the pyrimidine ring in one of the mol-ecules is disordered in a 0.688?(15):0.312?(15) ratio. In both mol-ecules, the fused pyridine and pyrimidine rings adopt half-chair conformations. The dihedral angles between the furan and benzene rings are 81.00?(13) and 84.99?(10)° in the two mol-ecules. The mol-ecular structure is consolidated by intra-molecular N-H?O hydrogen bonding. In the crystal, C-H?O hydrogen bonds connect the molecules into a three-dimensional network.

| S-EPMC3685119 | biostudies-other

[5-(2-Fur-yl)-6-nitro-1,2,3,5,6,7-hexa-hydro-imidazo[1,2-a]pyridin-8-yl](phen-yl)methanone.

Project description:In the title compound, C(18)H(17)N(3)O(4), the furyl and phenyl rings are inclined at almost right angles [85.77?(7) and 63.25?(7)°, respectively] to the central imidazo[1,2-a]pyridinyl unit. The structure displays both inter- and intra-molecular N-H?O hydrogen bonding.

| S-EPMC2969857 | biostudies-other

Paliperidone: 3-{2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]eth-yl}-9-hy-droxy-2-methyl-1,6,7,8,9,9a-hexa-hydro-pyrido[1,2-a]pyrimidin-4-one.

Project description:The title compound (also known as 9-hy-droxy-risperidone), C(23)H(27)FN(4)O(3), is a heterocyclic compound with manifold pharmacological properties. The hy-droxy group shows disorder over two positions, with site-occupancy factors of 0.856?(2) and 0.144?(2). The piperidine ring adopts a chair conformation, while the annulated ring bearing the hy-droxy group is present in a half-chair conformation. Classical O-H?O hydrogen bonds as well as C-H?N contacts connect the mol-ecules into undulating sheets lying perpendicular to the crystallographic b axis. The shortest centroid-centroid distance between two centers of gravity is 3.5867?(8)?Å and is apparent between the benzoxazole moiety and the six-membered ring bearing the keto substituent.

| S-EPMC3247356 | biostudies-literature

4-(6-Fluoro-1,2-benzisoxazol-3-yl)-1-[2-(2-methyl-4-oxo-6,7,8,9-tetra-hydro-4H-pyrido[1,2-a]pyrimidin-3-yl)eth-yl]piperidinium nitrate.

Project description:In the risperidone cation of the title compound, C(23)H(28)FN(4)O(2) (+)·NO(3) (-), the piperidine ring adopts a chair conformation and the tetra-hydro-pyridine ring is disordered over two orientations in a 0.620?(11):0.380?(11) ratio. N-H?O, C-H?O and C-H?F hydrogen bonds are present in the crystal structure.

| S-EPMC2969342 | biostudies-literature

4-(4-Fluoro-phen-yl)-6-(2-fur-yl)pyrimidin-2-amine.

Project description:Mol-ecules of the title compound, C(14)H(10)FN(3)O, are essentially planar and in the crystal structure they form dimers via hydrogen bonds, involving pyrimidinyl N atoms and amino H atoms, about inversion centers. The centroids of the furyl and pyrimidinyl rings are separated by 3.489?(2)Å, indicating ?-? stacking inter-actions.

| S-EPMC2961462 | biostudies-literature

[3-(5-Nitro-2-fur-yl)-1-phenyl-1H-pyrazol-4-yl](phen-yl)methanone.

Project description:In the title pyrazole compound, C(20)H(13)N(3)O(4), an intra-molecular C-H?O hydrogen bond generates a seven-membered ring, producing an S(7) ring motif. The essentially planar furan and pyrazole rings [maximum deviations of 0.002?(1) and 0.007?(1)?Å, respectively] are coplanar with each other, forming a dihedral angle of 3.06?(10)°. The pyrazole ring forms dihedral angles of 8.51?(9) and 56.81?(9)° with the two benzene rings. The nitro group is coplanar with the attached furan ring, as indicated by the dihedral angle of 2.5?(3)°. In the crystal packing, inter-molecular C-H?O hydrogen bonds link adjacent mol-ecules into two-mol-ecule-wide chains along the a axis. The crystal packing is further stabilized by weak inter-molecular C-H?? and ?-? inter-actions [centroid-centroid distance = 3.4441?(10)?Å].

| S-EPMC2979013 | biostudies-literature

Crystal structure of (E)-9-(4-nitro-benzyl-idene)-8,9-di-hydro-pyrido[2,3-d]pyrrolo-[1,2-a]pyrimidin-5(7H)-one.

Project description:The title compound, C17H12N4O3, a pyrido-pyrrolo-pyrimidine derivative, is almost planar. The nitro-benzene ring is inclined to the mean plane of the 8,9-di-hydro-pyrido[2,3-d]pyrrolo-[1,2-a]pyrimidin-5(7H)-one moiety (r.m.s. deviation = 0.023 Å) by 6.8 (1)°. In the crystal, mol-ecules are linked via C-H⋯O and C-H⋯N hydrogen bonds, forming layers parallel to (101).

| S-EPMC4910333 | biostudies-literature

1-[(1,3-Dithio-lan-2-yl)meth-yl]-8-nitro-6-propyl-1,2,3,5,6,7-hexa-hydro-imidazo[1,2-c]pyrimidine.

Project description:In the title compound, C(13)H(22)N(4)O(2)S(2), the six-membered ring displays a half-chair conformation. The olefin amine unit is close to being coplanar with the imidazolidine ring (r.m.s. deviation = 0.059?Å). The dithiol-ane ring adopts a twisted conformation. In the crystal, mol-ecules are linked by weak C-H?O inter-actions.

| S-EPMC3008034 | biostudies-literature

1-(2,2-Dimeth-oxy-eth-yl)-8-nitro-1,2,3,5,6,7-hexa-hydro-imidazo[1,2-a]pyridin-5-ol.

Project description:In the title compound, C(11)H(19)N(3)O(5), the six-membered ring displays a half-chair conformation and the imidazolidine ring is essentially planar (r.m.s. deviation = 0.088 Å). An inter-molecular hydrogen bond between the hy-droxy O atom and a nitro O atom stabilizes the crystal packing.

| S-EPMC3007961 | biostudies-literature

6-Ferrocenoyl-7-(4-fluoro-phen-yl)spiro-[hexa-hydro-pyrrolo-[1,2-c][1,3]thia-zole-5,11'-indeno-[1,2-b]quinoxaline].

Project description:In the title compound, [Fe(C5H5)(C32H23FN3OS)], both the thia-zolidine ring and the pyrrolidine ring adopt a twist conformation on the N-C(H) bridging bond. Their mean planes are inclined to one another by 10.05?(10)°, and they make dihedral angles of 82.09?(10) and 89.67?(11)°, respectively, with the cyclo-pentane ring. The F atom deviates by -0.0238?(2)?Å from the benzene ring to which it is attached. In the crystal, mol-ecules are linked by a pair of C-H?O hydrogen bonds, forming inversion dimers.

| S-EPMC3884446 | biostudies-literature

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