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6,8-Dichloro-N-methyl-3-nitro-4-nitro-methyl-4H-chromen-2-amine.

ABSTRACT: In the title compound, C(11)H(9)Cl(2)N(3)O(5), the dihydro-pyran ring adopts a near-half-chair conformation. The benzene ring makes a torsion angle of 5.02 (5)° with the dihydro-pyran ring. Adjacent mol-ecules are inter-linked through inter-molecular C-H⋯O, N-H⋯O and C-Cl⋯π [3.4743 (9) Å] inter-actions. The inter-molecular N-H⋯O hydrogen bond generates an R(2) (2)(12) motif, which is observed to contribute to the crystal packing stability. Moreover, the mol-ecular structure displays an S(6) motif formed by intra-molecular N-H⋯O hydrogen bonding.

SUBMITTER: Muthukumaran J

PROVIDER: S-EPMC3099939 | biostudies-literature |

REPOSITORIES: biostudies-literature

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6-Ethyl-N-methyl-3-nitro-4-nitro-methyl-4H-chromen-2-amine.

Project description:In the title compound, C(13)H(15)N(3)O(5), the O and N atoms of the nitro-methyl group and the methyl C atom of the ethyl group are disordered over two sets of sites with refined occupancies of 0.629 (7):0.371 (7) and 0.533 (8):0.467 (8), respectively. The dihydro-pyran ring has an extremely flattened conformation. An intra-molecular N-H⋯O hydrogen bond occurs. In the crystal, pairs of N-H⋯O hydrogen bonds link mol-ecules, forming inversion dimers. In addition, weak inter-molecular C-H⋯O hydrogen bonds are also present.

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| S-EPMC3089089 | biostudies-other

Crystal structure of 2-methyl-amino-4-(6-methyl-4-oxo-4H-chromen-3-yl)-3-nitro-pyrano[3,2-c]chromen-5(4H)-one with an unknown solvate.

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3-Methyl-4H-chromen-4-one.

Project description:In the title chromenone derivative, C(10)H(8)O(2), the two fused six-membered rings are coplanar, with a mean deviation of 0.0261 (1) Å from the plane through the non-H atoms of the rings. The carbonyl and methyl substituents of the pyran ring also lie close to that plane, with the O and C atoms deviating by 0.0557 (1) and 0.1405 (1) Å, respectively. In the crystal, weak C-H⋯O contacts form chains along the a axis.

| S-EPMC3007079 | biostudies-literature

7,7-Dimethyl-2-methyl-amino-4-(4-methyl-phenyl)-3-nitro-7,8-di-hydro-4H-chromen-5(6H)-one.

Project description:In the title compound, C19H22N2O4, the six-membered cyclo-hexenone ring of the chromene unit adopts an envelope conformation, with the dimethyl-substituted C atom as the flap, while the pyran ring has a boat conformation. These two mean planes are inclined to one another by 6.65?(13)°·The benzene ring is normal to the 4H-chromene moiety mean plane, making a dihedral angle of 89.18?(5)°. The methyl-amine and nitro groups are slightly twisted from the chromene moiety mean plane, with torsion angles C-N-C-O = 1.70?(18) and O-N-C-C = 0.15?(18)°. The mol-ecular structure is characterized by an intra-molecular N-H?O hydrogen bond, which generates an S(6) ring motif. In the crystal, mol-ecules are linked via pairs of weak C-H?O hydrogen bonds, forming inversion dimers. These dimers are connected by further C-H?O hydrogen bonds, forming sheets lying parallel to (10-1).

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3-(4-Nitro-benz-yl)-4H-chromen-4-one.

Project description:In the title compound, C16H11NO4, the dihedral angle between the ten-membered chromen-4-one ring system (r.m.s. deviation = 0.0095 Å) and the benzene ring is 86.16 (5)°. In the crystal, mol-ecules are linked into a three-dimensional network by weak C-H⋯O hydrogen bonds. The crystal studied was a non-merohedral twin, with the minor twin component refining to 0.093 (1).

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Crystal structure of 4-(6-bromo-4-oxo-4H-chromen-3-yl)-2-methyl-amino-3-nitro-pyrano[3,2-c]chromen-5(4H)-one chloro-form monosolvate.

Project description:In the title compound, C22H13BrN2O7·CHCl3, the pyran ring adopts a shallow sofa conformation with the C atom bearing the bromo-chromene system as the flap [deviation = 0.291 (3) Å]. The dihedral angle between the pyran fused-ring system (all atoms; r.m.s. deviation = 0.032 Å) and the bromo-chromene ring system (r.m.s. deviation = 0.027 Å) is 87.56 (9)°. An intra-molecular N-H⋯O hydrogen bond closes an S(6) ring. The Cl atoms of the solvent mol-ecule are disordered over two sets of sites in a 0.515 (6):0.485 (6) ratio. In the crystal, inversion dimers linked by pairs of N-H⋯O hydrogen bonds generate R 2 (2)(12) loops. The packing also features C-H⋯O and very weak π-π [centroid-centroid separation = 3.960 (2) Å] inter-actions, which link the dimers into a three-dimensional network.

| S-EPMC4555410 | biostudies-literature

6,8-Dibromo-5-hydr-oxy-4-oxo-2-phenyl-4H-chromen-7-yl acetate.

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| S-EPMC2968645 | biostudies-literature

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