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1-[(3-Methyl-piperidin-1-yl)(3-nitro-phen-yl)meth-yl]naphthalen-2-ol.

ABSTRACT: The title compound, C(23)H(24)N(2)O(3), was synthesized from naphthalen-2-ol, 3-nitro-benzaldehyde and 3-methyl-piperidine. The dihedral angles between the naphthalene system and the nitro-benzene and methyl-piperidine rings are 78.53?(13) and 64.14?(15)°, respectively. The mol-ecular conformation is stabilized by a strong intra-molecular O-H?N hydrogen bond.

SUBMITTER: Chen JM

PROVIDER: S-EPMC3011680 | BioStudies | 2010-01-01T00:00:00Z

REPOSITORIES: biostudies

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1-[(2-Methyl-piperidin-1-yl)(phen-yl)meth-yl]naphthalen-2-ol.

Project description:In the title compound, C(23)H(25)NO, an intra-molecular O-H?N hydrogen bond defines the mol-ecular conformation; the naphthol mean plane and the benzene ring form a dihedral angle of 75.8?(2)°. The piperidine ring adopts a chair conformation. The crystal packing exhibits no short inter-molecular contacts.

2012-01-01 | S-EPMC3470315 | BioStudies

[2-Chloro-3-nitro-5-(tri-fluoro-meth-yl)phen-yl](piperidin-1-yl)methanone: structural characterization of a side product in benzo-thia-zinone synthesis.

Project description:1,3-Benzo-thia-zin-4-ones (BTZs) are a promising new class of anti-tuberculosis drug candidates, some of which have reached clinical trials. The title compound, the benzamide derivative [2-chloro-3-nitro-5-(tri-fluoro-meth-yl)phen-yl](piper-id-in-1-yl)methanone, C13H12ClF3N2O3, occurs as a side product as a result of competitive reaction pathways in the nucleophilic attack during the synthesis of the BTZ 8-nitro-2-(piperidin-1-yl)-6-(tri-fluoro-meth-yl)-1,3-benzo-thia-zin-4-one, following the original synthetic route, whereby the corresponding benzoyl iso-thio-cyanate is reacted with piperidine as secondary amine. In the title compound, the nitro group and the nearly planar amide group are significantly twisted out of the plane of the benzene ring. The piperidine ring adopts a chair conformation. The tri-fluoro-methyl group exhibits slight rotational disorder with a refined ratio of occupancies of 0.972?(2):0.028?(2). There is structural evidence for inter-molecular weak C-H?O hydrogen bonds.

2020-01-01 | S-EPMC7472761 | BioStudies

Crystal structure of 2,2-di-chloro-1-(piperidin-1-yl)butane-1,3-dione.

Project description:In the title compound, C9H13Cl2NO2, the piperidine ring shows a chair conformation and the O-C-C-O torsion angle between the carbonyl groups is 183.6 (4)°. In the crystal, mol-ecules are linked into an infinite layer along the ab plane by a bifurcated C-H?O hydrogen bond between the carbonyl O atom adjacent to the methyl group and one of the methyl-ene groups next to nitro-gen and an additional hydrogen bond of the C-H?Cl type. These layers are connected into a three-dimensional supra-molecular arrangement by O?Cl contacts [2.8979?(12) and 3.1300?(12)?Å].

2015-01-01 | S-EPMC4331874 | BioStudies

1-(Piperidin-1-yl)-3-(2,4,6-trimethyl-phen-yl)propan-2-ol.

Project description:The title compound, C(17)H(27)NO, features a bufferfly-shaped substituted 2-propanol having an aromatic ring on the 1-carbon and a piperidine ring on the 3-carbon. The piperidine ring adopts a chair conformation and its N atom shows a trigonal coordination. In the crystal, the hy-droxy group inter-acts with the N atom of an inversion-related mol-ecule, generating an O-H?N hydrogen-bonded dimer.

1000-01-01 | S-EPMC3052162 | BioStudies

The crystal structures and Hirshfeld surface analysis of 6-(naphthalen-1-yl)-6a-nitro-6,6a,6b,7,9,11a-hexa-hydro-spiro-[chromeno[3',4':3,4]pyrrolo-[1,2-c]thia-zole-11,11'-indeno-[1,2-b]quinoxaline] and 6'-(naphthalen-1-yl)-6a'-nitro-6',6a',6b',7',8',9',10',12a'-octa-hydro-2H-spiro-[ace-naphthyl-ene-1,12'-chromeno[3,4-a]indolizin]-2-one.

Project description:The title compounds, 6-(naphthalen-1-yl)-6a-nitro-6,6a,6 b,7,9,11a-hexa-hydro-spiro-[chromeno[3',4':3,4]pyrrolo-[1,2-c]thia-zole-11,11'-indeno-[1,2-b]quinoxaline], C37H26N4O3S, (I), and 6'-(naphthalen-1-yl)-6a'-nitro-6',6a',6b',7',8',9',10',12a'-octa-hydro-2H-spiro-[ace-naphthyl-ene-1,12'-chromeno[3,4-a]indolizin]-2-one, C36H28N2O4, (II), are new spiro derivatives, in which both the pyrrolidine rings adopt twisted conformations. In (I), the five-membered thia-zole ring adopts an envelope conformation, while the eight-membered pyrrolidine-thia-zole ring adopts a boat conformation. An intra-molecular C-H⋯N hydrogen bond occurs, involving a C atom of the pyran ring and an N atom of the pyrazine ring. In (II), the six-membered piperidine ring adopts a chair conformation. An intra-molecular C-H⋯O hydrogen bond occurs, involving a C atom of the pyrrolidine ring and the keto O atom. For both compounds, the crystal structure is stabilized by inter-molecular C-H⋯O hydrogen bonds. In (I), the C-H⋯O hydrogen bonds link adjacent mol-ecules, forming R 2 2(16) loops propagating along the b-axis direction, while in (II) they form zigzag chains along the b-axis direction. In both compounds, C-H⋯π inter-actions help to consolidate the structure, but no significant π-π inter-actions with centroid-centroid distances of less than 4 Å are observed.

2019-01-01 | S-EPMC6775748 | BioStudies

4-(4-Chloro-phen-yl)piperidin-4-ol.

Project description:In the title compound, C(11)H(14)ClNO, the piperidine ring adopts a chair conformation: the hydroxyl substituent and the N-bound H atom occupy the axial positions, while the benzene ring occupies the equatorial position. In the crystal, the mol-ecules are linked into a centrosymmetric tetra-mer through strong O-H?N and weak N-H?O hydrogen bonds; the N and O atoms act as both donor and acceptor for these inter-actions. The tetra-mers are further joined by hydrogen bonds into a layer parallel to (100).

1000-01-01 | S-EPMC2983646 | BioStudies

(3E,5E)-3,5-Bis(naphthalen-1-yl-methyl-idene)piperidin-4-one.

Project description:In the title compound, C(27)H(21)NO, the piperidine ring adopts a chair conformation. The mean plane through the piperidine ring makes dihedral angles of 49.27?(5) and 63.07?(5)° with the naphthalene ring systems. In the crystal, mol-ecules are linked into dimers via pairs of inter-molecular C-H?O inter-actions, generating ten-membered R(2) (2)(10) ring motifs. C-H?? inter-actions further stabilize the crystal structure.

1000-01-01 | S-EPMC3297868 | BioStudies

(2-Chloro-3,5-dinitro-phen-yl)(piperidin-1-yl)methanone.

Project description:In the title compound, C(12)H(12)ClN(3)O(5), the piperidine ring adopts a chair conformation. One of the nitro groups is almost coplanar with the aromatic ring [O-N-C-C = -1.4?(2)°], whereas the other one is significantly twisted out of the ring plane [O-N-C-C = 34.7?(2)°]. The crystal packing is stabilized by inter-molecular ?-? stacking inter-actions with centroid-centroid distances of 3.579?(3)?Å.

1000-01-01 | S-EPMC3089352 | BioStudies

Crystal structure of 1,1'-[imidazolidine-1,3-diylbis(methyl-ene)]bis-(naphthalen-2-ol).

Project description:The crystal structure of the title compound, C25H24N2O2, at 173?K has monoclinic (C2/c) symmetry. The mol-ecule is located on a crystallographic twofold rotation axis with only half a mol-ecule in the asymmetric unit. The imidazolidine ring adopts a twist conformation, with a twist about the ring C-C bond. The crystal structure shows the anti-clinal disposition of the two (2-hy-droxy-naphthalen-1-yl)methyl substituents of the imidazolidine ring. The structure displays two intra-molecular O-H?N hydrogen bonds, each forming an S(6) ring motif.

1000-01-01 | S-EPMC4350733 | BioStudies

4-{[4-(Hy-droxy-meth-yl)piperidin-1-yl]meth-yl}phenol.

Project description:In the title compound, C(13)H(19)NO(2), the piperidine ring has a chair conformation with the exocyclic N-C bond in an equatorial position. In the crystal, mol-ecules are linked head-to-tail by phenol O-H?O hydrogen bonds to hy-droxy-methyl-ene O-atom acceptors, forming chains which extend along [100]. These chains form two-dimensional networks lying parallel to (101) through cyclic hydrogen-bonding associations [graph set R(4) (4)(30)], involving hy-droxy O-H donors and piperidine N-atom acceptors.

1000-01-01 | S-EPMC3394056 | BioStudies

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