scholarly journals N-Methyl-N-propyltryptamine (MPT)

IUCrData ◽  
2019 ◽  
Vol 4 (7) ◽  
Author(s):  
Andrew R. Chadeayne ◽  
James A. Golen ◽  
David R. Manke
Keyword(s):  
Hydrogen Bonds ◽  
Single Molecule ◽  
Title Compound ◽  
Unit Cell ◽  
Asymmetric Unit ◽  
One Dimensional ◽  
Ethyl Methyl

The title compound {systematic name: [2-(1H-indol-3-yl)ethyl](methyl)propylamine}, C14H20N2, has a single molecule in the asymmetric unit. The molecules in the unit cell are held together in infinite one-dimensional chains along [010] through N—H...N hydrogen bonds between indole H atoms and trialkylamine N atoms.

scholarly journals Bis(4-hydroxy-N-isopropyl-N-methyltryptammonium) fumarate: a new crystalline form of miprocin

2020 ◽  
Vol 76 (4) ◽  
pp. 514-517 ◽  
Author(s):  
Andrew R. Chadeayne ◽  
Duyen N. K. Pham ◽  
James A. Golen ◽  
David R. Manke
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Crystalline Form ◽  
Asymmetric Unit ◽  
One Dimensional ◽  
Π Interactions ◽  
Ethyl Methyl ◽  
Two Component ◽  
Oxygen Atoms

The title compound, bis(4-hydroxy-N-isopropyl-N-methyltryptammonium) (4-HO-MiPT) fumarate (systematic name: bis{[2-(4-hydroxy-1H-indol-3-yl)ethyl](methyl)propan-2-ylazanium} but-2-enedioate), 2C14H21N2O+·C4H2O4 2−, has a singly protonated tryptammonium cation and one half of a fumarate dianion in the asymmetric unit. The tryptammonium and fumarate ions are held together in one-dimensional chains by N—H...O and O—H...O hydrogen bonds. These chains are a combination of R 4 2(20) rings, and C 2 2(15) and C 4 4(30) parallel chains along (110). They are further consolidated by N—H...π interactions. There are two two-component types of disorder impacting the tryptammonium fragment with a 0.753 (7):0.247 (7) occupancy ratio and one of the fumarate oxygen atoms with a 0.73 (8):0.27 (8) ratio.

scholarly journals Crystal structure ofN,N′-dibenzyl-3,3′-dimethoxybenzidine

2018 ◽  
Vol 74 (3) ◽  
pp. 271-274
Author(s):  
Hansu Im ◽  
Jineun Kim ◽  
Changeun Sim ◽  
Tae Ho Kim
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Schiff Base ◽  
Hydrogen Bonds ◽  
Dft Calculations ◽  
Title Compound ◽  
Condensation Reaction ◽  
Asymmetric Unit ◽  
One Dimensional ◽  
Acidic Conditions

The title compound, (systematic name:N,N′-dibenzyl-3,3′-dimethoxy-1,1′-biphenyl-4,4′-diamine), C28H28N2O2, was synthesized by the reduction of a Schiff base preparedviaa condensation reaction betweeno-dianisidine and benzaldehyde under acidic conditions. The molecule lies on a crystallographic inversion centre so that the asymmetric unit contains one half-molecule. The biphenyl moiety compound is essentially planar. Two intramolecular N—H...O hydrogen bonds occur. The dihedral angle between the terminal phenyl and phenylene rings of a benzidine unit is 48.68 (6)°. The methylene C atom of the benzyl group is disordered over two sets of sites, with occupancy ratio 0.779 (18):0.221 (18). In the crystal, molecules are connected by hydrogen bonding betweeno-dianisidine O atoms and H atoms of the terminal benzyl groups, forming a one-dimensional ladder-like structure. In the data from DFT calculations, the central biphenyl showed a twisted conformation.

9-(Methoxymethyl)anthracene

2007 ◽  
Vol 63 (11) ◽  
pp. o4442-o4442 ◽  
Author(s):  
Jie Liu ◽  
Guo-Hua Wei ◽  
Guang-Ju Ping ◽  
Jian-Fang Ma
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Mirror Plane ◽  
Asymmetric Unit ◽  
One Dimensional ◽  
Compound C ◽  
Independent Molecules

The title compound, C16H14O, crystallizes with two independent molecules in the asymmetric unit, one of which lies on a crystallographic mirror plane. Intermolecular C—H...O hydrogen bonds link the molecules into infinite one-dimensional chains.

scholarly journals 5,7-Dichloro-1H-indole-2,3-dione

IUCrData ◽  
2016 ◽  
Vol 1 (9) ◽  
Author(s):  
James A. Golen ◽  
David R. Manke
Keyword(s):  
Hydrogen Bonds ◽  
Single Molecule ◽  
Title Compound ◽  
Mean Deviation ◽  
Asymmetric Unit ◽  
Compound C

The title compound, C8H3Cl2NO2, has a single molecule in the asymmetric unit that is close to planar, with the non-H atoms having a mean deviation from planarity of 0.035 Å. The molecules dimerize through two N—H...O hydrogen bonds. A weak intermolecular offset π–π interaction is also observed between the five- and six-membered rings, with a centroid–centroid separation of 3.8444 (16) Å.

scholarly journals Crystal structure of the BaII-based CoII-containing one-dimensional coordination polymer poly[[aqua{μ4-2,2′-[(4,10-dimethyl-1,4,7,10-tetraazacyclododecane-1,7-diyl)bis(methylidene)]bis(4-oxo-4H-pyran-3-olato)}perchloratocobaltbarium] perchlorate]

2017 ◽  
Vol 73 (12) ◽  
pp. 1806-1811 ◽  
Author(s):  
Paola Paoli ◽  
Eleonora Macedi ◽  
Patrizia Rossi ◽  
Luca Giorgi ◽  
Mauro Formica ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Coordination Polymer ◽  
Hydrogen Bonds ◽  
Water Molecule ◽  
Title Compound ◽  
Macrocyclic Ligand ◽  
Asymmetric Unit ◽  
One Dimensional ◽  
Trigonal Prismatic ◽  
Oxygen Atoms

The title compound, {[Ba{Co(H-2L1)}(ClO4)(H2O)]ClO4}n,L1 =4,10-bis[(3-hydroxy-4-pyron-2-yl)methyl]-1,7-dimethyl-1,4,7,10-tetraazacyclododecane, is a one-dimensional coordination polymer. The asymmetric unit consists of a {Ba[Co(H–2L1)](ClO4)(H2O)}+cationic fragment and a non-coordinating ClO4−anion. In the neutral [Co(H–2L1)] moiety, the cobalt ion is hexacoordinated in a trigonal–prismatic fashion by the surrounding N4O2donor set. The Ba2+ion is nine-coordinated and exhibits a distorted [BaO9] monocapped square-antiprismatic geometry, the six oxygen atoms coming from three distinct [Co(H–2L1)] moieties, while the remaining three vertices are occupied by the oxygen atoms of a bidentate perchlorate anion and a water molecule. A barium–μ2-oxygen motif develops along theaaxis, connecting symmetry-related dinuclear BaII–CoIIcationic fragments in a wave-like chain, forming a one-dimensional metal coordination polymer. Non-coordinating ClO4−anions are located in the space between the chains. Weak C—H...O hydrogen bonds involving both coordinating and non-coordinating perchlorate anions build the whole crystal architecture. To our knowledge, this is the first example of a macrocyclic ligand forming a BaII-based one-dimensional coordination polymer, containing CoIIions surrounded by a N4O2donor set.

scholarly journals catena-Poly[2,2′,2′′-nitrilotris(ethanaminium) [tri-μ-oxido-tris[dioxidovanadate(V)]] monohydrate]

2013 ◽  
Vol 69 (11) ◽  
pp. m570-m571 ◽  
Author(s):  
Kelvin B. Chang ◽  
Matthew D. Smith ◽  
Matthias Zeller ◽  
Alexander J. Norquist
Keyword(s):  
Hydrogen Bonding ◽  
Hydrogen Bonds ◽  
Water Molecule ◽  
Title Compound ◽  
Repeat Unit ◽  
Unit Cell ◽  
Water Molecules ◽  
One Dimensional ◽  
Compound C ◽  
Vertex Sharing

The title compound, {(C6H21N4)[V3O9]·H2O}n, crystallizes as a salt with [trenH3]3+cations [tren is tris(2-aminoethyl)amine], and one-dimensional anionic {[VVO3]−}n(metavanadate) chains along thec-axis direction. Three crystallographically distinct VVsites and one occluded water molecule are present for every [trenH3]3+cation in the unit cell. The {[VVO3]−}nchains are composed of vertex-sharing [VO4] tetrahedra and have a repeat unit of six tetrahedra. Each tetrahedron in the chain contains two terminal and two μ2-bridging oxide ligands. The [trenH3]3+cations, {[VVO3]−}nanions and occluded water molecules participate in an extensive three-dimensonal hydrogen-bonding network. The three terminal ammonium sites of the [trenH3]3+cations each form strong N—H...O hydrogen bonds to terminal oxide ligands on the {[VVO3]−}nchain. Each occluded water molecule also donates two O—H...O hydrogen bonds to the terminal oxide ligands.

scholarly journals Diaqua(5,10,15,20-tetraphenylporphyrinato-κ4N)magnesium–18-crown-6 (1/1)

2013 ◽  
Vol 69 (2) ◽  
pp. m114-m115 ◽  
Author(s):  
Khaireddine Ezzayani ◽  
Soumaya Nasri ◽  
Mohamed Salah Belkhiria ◽  
Jean-Claude Daran ◽  
Habib Nasri
Keyword(s):  
Hydrogen Bonds ◽  
Bond Length ◽  
Title Compound ◽  
Supramolecular Structure ◽  
Crystal Packing ◽  
Water Molecules ◽  
Supramolecular Architecture ◽  
Inversion Center ◽  
Asymmetric Unit ◽  
One Dimensional

In the title compound, [Mg(C44H28N4)(H2O)2]·C12H24O6, the MgIIcation lies on an inversion center and is octahedrally coordinated by the four N atoms of the deprotonated tetraphenylporphyrin (TPP) ligand and by two water molecules. The asymmetric unit contains one half of the [Mg(TPP)(H2O)2] complex and one half of an 18-crown-6 molecule. The average equatorial magnesium–pyrrole N atom distance (Mg—Np) is 2.071 (1) Å and the axial Mg—O(H2O) bond length is 2.213 (1) Å. The crystal packing is stabilized by two O—H...O hydrogen bonds between coordinating water molecules and adjacent 18-crown-6 molecules, and exhibits a one-dimensional supramolecular structure along theaaxis. The supramolecular architecture is futher stabilized by weak C—H...π interactions. The 18-crown-6 molecule is disordered over two sets of sites with an occupancy ratio of 0.8:0.2.

Chain and ring motifs in bis(creatininium) sulfate

2007 ◽  
Vol 63 (11) ◽  
pp. o4195-o4195 ◽  
Author(s):  
S. Asath Bahadur ◽  
M. Rajalakshmi ◽  
S. Athimoolam ◽  
R. Sayee Kannan ◽  
V. Ramakrishnan
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Unit Cell ◽  
Asymmetric Unit ◽  
Sulfate Anion ◽  
Hydrogen Bonded

The title compound, 2C4H8N3O+·SO4 2−, crystallizes with two creatininium cations and one sulfate anion in the asymmetric unit. Cations and anions dimerize through N—H...O hydrogen bonds forming R 2 2(8) ring motifs. Furthermore, these rings are connected via N—H...O hydrogen bonds, leading to C 2 2(6) and C 2 2(8) chain motifs. These interactions lead to a parallel set of hydrogen-bonded lamellar aggregations propagating along the c axis of the unit cell. Another cation is situated above these sheets, leading to a grid-like structure.

1,1′-(2,5-Dimethyl-1,4-phenylenemethylene)di-1H-imidazole dihydrate

2006 ◽  
Vol 62 (5) ◽  
pp. o1733-o1734
Author(s):  
Wen-Hua Wang ◽  
Wei Dou ◽  
Zhong-Lu You ◽  
Wei-Sheng Liu ◽  
Da-Qi Wang
Keyword(s):  
Hydrogen Bonds ◽  
Water Molecule ◽  
Title Compound ◽  
Organic Molecule ◽  
Organic Molecules ◽  
Two Dimensional ◽  
Asymmetric Unit ◽  
One Dimensional ◽  
Compound C ◽  
Chain Links

In the title compound, C16H18N4·2H2O, there is one half-molecule (organic) and one water molecule in the asymmetric unit, the organic molecule being centrosymmetric. The separation of the two terminal N atoms is 11.296 (8) Å and the dihedral angle between the benzene and imidazole rings is 85.27 (18)°; the molecule adopts a Z-shaped conformation. A one-dimensional water chain links the organic molecules, forming a two-dimensional ladder-shaped network along the b-axis direction through intermolecular O—H...O and N—H...O hydrogen bonds.

Ethyl (E)-2-(4-chlorobenzylidene)hydrazinecarboxylate

2007 ◽  
Vol 63 (11) ◽  
pp. o4418-o4418
Author(s):  
Bo Gao
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Dimensional Chain ◽  
Asymmetric Unit ◽  
One Dimensional ◽  
Compound C ◽  
Planar Molecule

The title compound, C10H11ClN2O2, crystallizes with two independent, but essentially identical molecules in the asymmetric unit. Each planar molecule is in the E configuration about the C=N bond. Intermolecular N—H...O hydrogen bonds link molecules into a one-dimensional chain aligned along the [101] direction.

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