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9-{[4-(Dimethyl-amino)-benz-yl]amino}-5-(3,4,5-trimeth-oxy-phen-yl)-5,5a,8a,9-tetra-hydro-furo[3',4':6,7]naphtho-[2,3-d][1,3]dioxol-6(8H)-one.

ABSTRACT: In the title compound, C(31)H(34)N(2)O(7), the fused tetra-hydro-furan and six-membered rings each display an envelope conformation. The dihedral angles between the benzene ring of the benzo[d][1,3]dioxole and the other two benzene rings are 89.68?(3) and 63.38?(2)°. In the crystal, weak inter-molecular C-H?O hydrogen bonds link the mol-ecules.

SUBMITTER: Li Y

PROVIDER: S-EPMC3120627 | biostudies-literature | 2011 Jun

REPOSITORIES: biostudies-literature

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9-{[4-(Dimethyl-amino)-benz-yl]amino}-5-(3,4,5-trimeth-oxy-phen-yl)-5,5a,8a,9-tetra-hydro-furo[3',4':6,7]naphtho-[2,3-d][1,3]dioxol-6(8H)-one.

Li Yan Y Wang Huo H Chen Hong H Chen Li-Ting LT Liu Jing J

Acta crystallographica. Section E, Structure reports online 20110528 Pt 6

In the title compound, C(31)H(34)N(2)O(7), the fused tetra-hydro-furan and six-membered rings each display an envelope conformation. The dihedral angles between the benzene ring of the benzo[d][1,3]dioxole and the other two benzene rings are 89.68 (3) and 63.38 (2)°. In the crystal, weak inter-molecular C-H⋯O hydrogen bonds link the mol-ecules. ...[more]

PMID: 21754898

Similar Datasets

9-[(Furan-2-ylmeth-yl)amino]-5-(3,4,5-trimeth-oxy-phen-yl)-5,5a,8a,9-tetra-hydro-furo[3',4':6,7]naphtho-[2,3-d][1,3]dioxol-6(8H)-one.

Project description:In title compound, C(27)H(27)NO(8), the dihydrofuran-2(3H)-one ring and the six-membered ring fused to it both display envelope conformations. The dihedral angle between the benzene ring of the benzo[d][1,3]dioxole group and the other benzene ring is 60.59?(2)°. In the crystal, weak inter-molecular C-H?O hydrogen bonds link the mol-ecules into a three-dimensional network. The furan ring is disordered over two sets of sites with occupancies of 0.722?(7) and 0.278?(7).

| S-EPMC3213528 | biostudies-literature

9-[(2-Chloro-benz-yl)amino]-5-(3,4,5-trimeth-oxy-phen-yl)-5,5a,8a,9-tetra-hydro-furo[3',4':6,7]naphtho-[2,3-d][1,3]dioxol-6(8H)-one.

Project description:In the title compound, C(29)H(28)ClNO(7), the tetra-hydro-furan ring and the six-membered ring fused to it both display envelope conformations. The dihedral angles between the plane of the benzene ring of the benzo[d][1,3]dioxole system and the planes of the other two benzene rings are 80.59?(3) and 63.60?(2)°.

| S-EPMC3120584 | biostudies-literature

9-[(2-Meth-oxy-benz-yl)amino]-5-(3,4,5-trimeth-oxy-phen-yl)-5,5a,8a,9-tetra-hydro-furo[3',4':6,7]naphtho-[2,3-d][1,3]dioxol-6(8H)-one.

Project description:In the title compound, C(30)H(31)NO(8), the tetra-hydro-furan ring and the six-membered ring fused to it both display envelope conformations, both having the same C atom as the flap. The dihedral angles between the benzene ring of the benzo[d][1,3]dioxole ring system and the other two benzene rings are 53.73?(3) and 83.30?(2)°. An intra-molecular N-H?O hydrogen bond is present. In the crystal, weak inter-molecular C-H?O hydrogen bonds link the mol-ecules into chains parallel to the c axis.

| S-EPMC3393313 | biostudies-literature

9-{[4-(Dimethyl-amino)-benzyl]amino}-5-(4-hy-droxy-3,5-dimeth-oxy-phenyl)-5,5a,8a,9-tetra-hydro-furo[3',4':6,7]naphtho-[2,3-d][1,3]dioxol-6(8H)-one methanol monosolvate.

Project description:In the title compound, C(30)H(32)N(2)O(7)·CH(4)O, the tetra-hydro-furan ring and the six-membered ring fused to it both display envelope conformations, with the ring C atom opposite the carbonyl group and the adjacent bridgehead C atom as the flaps, respectively. In the crystal structure, inter-molecular O-H?O hydrogen bonds link all moieties into ribbons along [010]. Weak inter-molecular C-H?O inter-actions consolidate the crystal packing further.

| S-EPMC3247436 | biostudies-literature

Methyl 9-(4-bromo-phen-yl)-8a,9,9a,10,11,12,13,14a-octa-hydro-8H-benzo[f]chromeno[3,4-b]indolizine-8a-car-box-ylate.

Project description:In the title compound, C(27)H(26)BrNO(3), the mean plane of the naphthalene ring system makes a dihedral angle of 22.0?(1)° with the bromo-substituted benzene ring. The pyrrolidine and piperidine rings exhibit envelope and chair conformations, respectively. An inter-molecular C-H?Br inter-action is observed.

| S-EPMC2970191 | biostudies-literature

3-(4-Meth-oxy-phen-yl)-6,7-dihydro-1H-furo[3,4-c]pyran-4(3H)-one.

Project description:In the title compound, C14H14O4, the dihedral angle between the hydro-furan and benzene rings is 88.41?(15)°. The hydro-pyran ring adopts an envelope conformation, with the O-bound methyl-ene C atom as the flap. In the crystal, weak aromatic ?-? stacking is observed [centroid-centroid separation = 3.848?(2)?Å].

| S-EPMC3589028 | biostudies-literature

Allyl 2-(2,2-dimethyl-3a,6a-di-hydro-furo[3,2-d][1,3]dioxol-5-yl)-4-oxo-4H-chromene-3-carboxyl-ate.

Project description:In the title compound, C20H18O7, the dioxolane ring adopts an envelope conformation with the dimethyl-substituted C atom as the flap, and its mean plane makes a dihedral angle of 73.25?(2)° with the pyran ring mean plane. The furan ring makes dihedral angles of 67.43?(12) and 6.20?(11)° with the mean plane of the dioxolane and pyran rings, respectively. The O atom attached to the pyran ring deviates by 0.0219?(2)?Å from its mean plane. In the crystal, mol-ecules are linked via C-H?O hydrogen bonds, forming chains along [010] and enclosing R 2 (2)(9) loops. They stack along the a axis with ?-? inter-actions involving the 4H-chromene units [centroid-centroid distances of 3.6389?(13) and 3.6555?(13)?Å]. The terminal CH2=CH- atoms of the allyl acetate group are disordered over two sets of sites with a refined occupancy ratio of 0.717?(6):0.283?(6).

| S-EPMC3793755 | biostudies-literature

6,6,9a-Trimethyl-5,5a,6,7,8,9,9a,9b-octa-hydro-naphtho[1,2-c]furan-1(3H)-one.

Project description:In the crystal structure of the title compound, C(15)H(22)O(2), the cyclo-hexene and cyclo-hexane rings adopt half-boat and chair conformations, respectively, and the lactone ring is in an envelope conformation.

| S-EPMC2960948 | biostudies-literature

Methyl 9-p-tolyl-8a,9,9a,10,11,12,13,14a-octa-hydro-8H-benzo[f]chromeno[3,4-b]indolizine-8a-carboxyl-ate.

Project description:In the title compound, C(28)H(29)NO(3), the fused pyrrolidine and piperidine rings of the octa-hydro-indolizine unit exhibit envelope and chair conformations, respectively. The dihedral angle between the naphthalene ring system and the benzene ring is 40.37?(5)°. The crystal packing is stabilized by weak inter-molecular C-H?O inter-actions.

| S-EPMC2972086 | biostudies-other

Ethyl 2-isopropyl-amino-6-methyl-8-oxo-3-phenyl-3H,8H-furo[2,3-d][1,2,4]triazolo[1,5-a]pyrimidine-7-carboxyl-ate.

Project description:In the title compound, C(20)H(21)N(5)O(4), the ring system containing the three fused rings is essentially planar (r.m.s. deviation for all 12 non-H atoms = 0.041 Å). The phenyl ring makes a dihedral angle of 54.41 (6)° with this ring system. The isopropyl group is disordered over two positions, with site-occupancy factors of 0.753 (9) and 0.247 (9). The structure is mainly stabilized by weak inter-molecular N-H⋯O and intra-molecular C-H⋯O hydrogen-bonding inter-actions and π-π inter-actions, with inter-planar distances of 3.415 (1) Å between adjacent furan ring centroids and 3.420 (1) Å between the benzene and pyrimidinone rings.

| S-EPMC3007932 | biostudies-literature

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