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3-(4-Fluoro-phen-yl)-2-(2-naphth-yloxy)-4-oxo-5-phenyl-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidine-7-carbonitrile.

ABSTRACT: The title compound, C(29)H(17)FN(4)O(2), may be used as a new precursor for obtaining bioactive mol-ecules. There are two crystallographically independent mol-ecules in the asymmetric unit. The phenyl ring, 4-fluoro-phenyl ring and 2-naphth-yloxy ring are twisted with respect to the pyrrolopyrimidine ring by 52.30 (11)/49.05 (11), 80.94 (10)/88.36 (10) and 60.58 (7)/83.76 (7)°, respectively. The crystal packing is stabilized by weak C-H⋯N hydrogen bonds.

SUBMITTER: Ma JK

PROVIDER: S-EPMC2970989 | biostudies-literature |

REPOSITORIES: biostudies-literature

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3-(4-Fluoro-phen-yl)-2-(4-methoxy-phen-oxy)-4-oxo-5-phenyl-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidine-7-carbonitrile.

Project description:There are two crystallographically independent mol-ecules in the asymmetric unit of the title compound, C(26)H(17)FN(4)O(3), which differ in the dihedral angles between the aromatic rings (fluorophenyl, phenyl) and the pyrrolopyrimidine rings [0.6?(3)/76.3° and 73.7?(3)/64.6°, respectively]. The crystal structure is mainly stabilized by C-H?O and C-H?F inter-actions.

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Ethyl 2-diethyl-amino-4-oxo-3,5-diphenyl-4,5-dihydro-3H-pyrrolo-[3,2-d]pyrimidine-7-carboxyl-ate.

Project description:In the title compound, C(25)H(26)N(4)O(3), the two fused pyrrolo-[3,2-d]pyrimidine rings form a dihedral angle of 3.7?(2)°. The two substituent phenyl rings are twisted with respect to the pyrrole and pyrimidine rings, making dihedral angles of 57.2?(2) and 69.0?(2)°, respectively. The ethyl and eth-oxy groups are disordered over two positions; the site occupancies are 0.53?(1) and 0.47?(1) for ethyl, and 0.63?(1) and 0.37?(1) for eth-oxy. The crystal packing features C-H?O hydrogen bonds.

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Ethyl 3-(4-chloro-phen-yl)-2-(dipentyl-amino)-4-oxo-5-phenyl-4,5-dihydro-3H-pyrrolo-[3,2-d]pyrimidine-7-carboxyl-ate.

Project description:In the title compound, C(31)H(37)ClN(4)O(3), the fused rings of the pyrrolo-[3,2-d]pyrimidine system form a dihedral angle of 5.80?(11)°. The phenyl and benzene rings are twisted with respect to the mean plane of the pyrrolo-[3,2-d]pyrimidine system [maximum deviation = 0.077?(2)?Å], making dihedral angles of 61.05?(12) and 75.39?(10)°, respectively. The eth-oxy group is disordered over two positions with the site-occupancy ratio fixed at 0.54:0.46. In the crystal, mol-ecules are linked via C-H?O hydrogen bonds, forming a two-dimensional network lying parallel to the ab plane. There are also ?-? [centroid-centroid distances = 3.5954?(17) and 3.965?(2)?Å] and C-H?? inter-actions present.

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2-Morpholino-4-oxo-4,5-dihydro-thio-phene-3-carbonitrile.

Project description:The title compound, C(9)H(10)N(2)O(2)S, was obtained from the treatment of ethyl 4-cyano-3-hydr-oxy-5-morpholinothio-phene-2-carboxyl-ate with concentrated HCl. The mean plane of the essentially planar dihydro-thio-phene ring is almost orthogonal to the mirror plane of the N-morpholine substituent, making a dihedral angle of 87.2 (2)°.

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2-(2-Naphth-yloxy)pyrimidine.

Project description:In the title compound, C(14)H(10)N(2)O, the organic rings are inclined at an angle of 86.1?(1)°. The angle at the ether O atom is widened to 117.18?(14)°.

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Project description:The title compound, C(20)H(21)NO(7), is asymmetric with a chiral centre located in the pyran ring and crystallizes as a racemate. The mol-ecular framework is somewhat bent; the coumarin moiety and the pyran ring are inclined by 7.85?(5)°. The mol-ecular structure is characterized by an intra-molecular N-H?O hydrogen bond, which generates an S(6) ring motif, and the crystal packing is stabilized by inter-molecular C-H?O hydrogen bonds. The 3-carboxyl-ate O atom is involved in both of them, having a bifurcated character.

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3,8-Dimethyl-4-oxo-3,4-dihydro-quinazoline-6-carbonitrile.

Project description:In the title compound, C(11)H(9)N(3)O, the quinazoline unit is almost planar, with a mean deviation of 0.006?(1)?Å from the least-squares plane defined by the ten constituent atoms. In the crystal, mol-ecules are linked by weak C-H?N hydrogen bonds.

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2-[(2-Meth-oxy-eth-yl)sulfan-yl]-4-(2-methyl-prop-yl)-6-oxo-1,6-dihydro-pyrimidine-5-carbonitrile.

Project description:In the title compound, C(12)H(17)N(3)O(2)S, the 4-methyl-2-methyl-sulfanyl-6-oxo-1,6-dihydro-pyrimidine-5-carbonitrile part of the mol-ecule is almost planar (r.m.s deviation = 0.062 Å). In the crystal, mol-ecules form centrosymmetric dimers via pairs of N-H⋯O hydrogen bonds.

| S-EPMC3344508 | biostudies-literature

Ethyl 3-methyl-4-oxo-4,5-dihydro-1H-pyrrolo[2,3-d]pyridazine-2-carboxyl-ate.

Project description:The title compound, C(10)H(11)N(3)O(3), was synthesized by the reaction of 3,5-bis-(ethoxy-carbon-yl)-2-formyl-4-methyl-1H-pyrrole and hydrazine hydrate. The angle between the pyrrole ring and the pyridazinone ring is 0.93?(9)°. In the crystal, inter-molecular N-H?O and N-H?N hydrogen-bond inter-actions link the mol-ecules into a two-dimensional network.

| S-EPMC2979812 | biostudies-other

rac-Dimethyl 5-oxo-2-[(2,4,4-trimethyl-pentan-2-yl)amino]-4,5-dihydro-pyrano[3,2-c]chromene-3,4-dicarboxyl-ate.

Project description:The title compound, C(24)H(29)NO(7), is asymmetric with a chiral centre located in the pyran ring and crystallizes as a racemate. The coumarin ring system and the fused pyran ring make a dihedral angle of 10.46 (8)°. A short intra-molecular N-H⋯O hydrogen bond between the amino group and the vicinal carbonyl group generates an S(6) ring. Inter-molecular C-H⋯O inter-actions contribute to the stability of the crystal structure.

| S-EPMC3393981 | biostudies-literature

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