scholarly journals Redetermination of the solvent-free crystal structure of L-proline

2018 ◽  
Vol 74 (8) ◽  
pp. 1067-1070 ◽  
Author(s):  
Jonas J. Koenig ◽  
Jörg-M. Neudörfl ◽  
Anne Hansen ◽  
Martin Breugst
Keyword(s):  
Crystal Structure ◽  
Carboxylic Acid ◽  
Hydrogen Bonds ◽  
Single Crystal ◽  
Title Compound ◽  
Structural Information ◽  
Water Molecules ◽  
Two Dimensional ◽  
Zwitterionic Form ◽  
Dimensional Network

The title compound, (S)-pyrrolidine-2-carboxylic acid (C5H9NO2), commonly known as L-proline, crystallized without the inclusion of any solvent or water molecules through the slow diffusion of diethyl ether into a saturated solution of L-proline in ethanol. L-Proline crystallized in its zwitterionic form and the molecules are linked via N—H...O hydrogen bonds, resulting in a two-dimensional network. In comparison to the only other publication of a single-crystal structure of L-proline without inclusions [Kayushina & Vainshtein (1965). Kristallografiya, 10, 833–844], the R 1 value is significantly improved (0.039 versus 0.169) and thus, our data provides higher precision structural information.

scholarly journals 2-(1H-Tetrazol-1-yl)acetic acid monohydrate

2012 ◽  
Vol 68 (8) ◽  
pp. o2561-o2561
Author(s):  
Wen-Xiang Wang
Keyword(s):  
Crystal Structure ◽  
Acetic Acid ◽  
Carboxylic Acid ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Acid Group ◽  
Two Dimensional ◽  
Carboxylic Acid Group ◽  
Compound C ◽  
Dimensional Network

The crystal structure of the title compound, C3H4N4O2·H2O, exhibits O—H...O and O—H...N hydrogen bonds, which lead to the formation of a two-dimensional network parallel to thebcplane. The dihedral angle between the ring and the carboxylic acid group is 84.6 (14)°.

scholarly journals Crystal structure of 2-nitro-N-(5-nitro-1,3-thiazol-2-yl)benzamide

2014 ◽  
Vol 70 (12) ◽  
pp. o1252-o1252 ◽  
Author(s):  
Rodolfo Moreno-Fuquen ◽  
Diego F. Sánchez ◽  
Javier Ellena
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Dihedral Angles ◽  
Two Dimensional ◽  
Compound C ◽  
Dimensional Network ◽  
Benzene Rings ◽  
The Mean ◽  
Amide Fragment

In the title compound, C10H6N4O5S, the mean plane of the non-H atoms of the central amide fragment C—N—C(=O)—C [r.m.s. deviation = 0.0294 Å] forms dihedral angles of 12.48 (7) and 46.66 (9)° with the planes of the thiazole and benzene rings, respectively. In the crystal, molecules are linked by N—H...O hydrogen bonds, forming chains along [001]. In addition, weak C—H...O hydrogen bonds link these chains, forming a two-dimensional network, containingR44(28) ring motifs parallel to (100).

2′-(1H-Indol-3-ylmethylene)isonicotinohydrazide ethanol solvate

2006 ◽  
Vol 62 (4) ◽  
pp. o1360-o1361 ◽  
Author(s):  
Zuo-Liang Jing ◽  
Wen-Wen Cheng ◽  
Xin Chen ◽  
Yu Ming
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Two Dimensional ◽  
Compound C ◽  
Dimensional Network ◽  
Ethanol Solvate

In the crystal structure of the title compound, C15H12N4O·C2H6O, molecules are linked via weak intermolecular N—H...N, O—H...O and N—H...O hydrogen bonds, forming a two-dimensional network.

The layered structure of poly[[hexaaqua(μ4-benzene-1,2,4,5-tetracarboxylato)dicopper(II)] tetrahydrate]

2013 ◽  
Vol 69 (11) ◽  
pp. 1344-1347 ◽  
Author(s):  
Patricio Cancino ◽  
Evgenia Spodine ◽  
Verónica Paredes-García ◽  
Diego Venegas-Yazigi ◽  
Andrés Vega
Keyword(s):  
Hydrogen Bonds ◽  
Water Molecule ◽  
Layered Structure ◽  
Title Compound ◽  
Coordination Mode ◽  
Water Molecules ◽  
Two Dimensional ◽  
Coordination Environment ◽  
Dimensional Network

In the structure of the title compound, {[Cu2(C10H2O8)(H2O)6]·4H2O}n, the benzene-1,2,4,5-tetracarboxylate ligand, (btec)4−, is located on a crystallographic inversion centre in a μ4-coordination mode. The coordination environment of each pentacoordinated CuIIcentre is square pyramidal (SBP), formed by three water molecules and two carboxylate O atoms from two different (btec)4−ligands. The completely deprotonated (btec)4−ligand coordinates in a monodentate mode to four CuIIatoms. The alternation of (btec)4−ligands and SBP CuIIcentres leads to the formation of a planar two-dimensional covalent network of parallelograms, parallel to theabplane. Hydrogen bonds between a basal water molecule and an apical one from an adjacent [Cu(btec)0.5(H2O)3] unit exist in the intralayer space. Hydrogen bonds are also present between the two-dimensional network and the water molecules filling the channels in the structure.

scholarly journals Crystal structure of ethyl (4R)-2-amino-7-hydroxy-4-phenyl-4H-chromene-3-carboxylate

2015 ◽  
Vol 71 (7) ◽  
pp. o519-o520
Author(s):  
Joel T. Mague ◽  
Shaaban K. Mohamed ◽  
Mehmet Akkurt ◽  
Sabry H. H. Younes ◽  
Mustafa R. Albayati
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Phenyl Ring ◽  
Membered Ring ◽  
Two Dimensional ◽  
Crystal Stability ◽  
Compound C ◽  
Dimensional Network

In the title compound, C18H17NO4, the dihedral angle between the phenyl ring and the fused six-membered ring is 77.65 (4)°. The conformation of the molecule is determined in part by an intramolecular N—H...O hydrogen bond between the amino H atom and the carbonyl O atom, forming anS(6) motif. In the crystal, molecules are linked into N—H...O hydrogen-bonded inversion dimers which are then connected into chains along [001], forming a two-dimensional network parallel to (100)viaO—H...O hydrogen bonds. C—H...O interactions further contribute to the crystal stability. The ethyl group is disordered over two sets of sites in a 0.801 (5):0.199 (5) ratio.

Bis{4-[(4-pyridyl)ethenyl]pyridinium} 4-sulfonatobenzoate trihydrate

2006 ◽  
Vol 62 (4) ◽  
pp. o1529-o1531 ◽  
Author(s):  
Li-Ping Zhang ◽  
Long-Guan Zhu
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Proton Transfer ◽  
Water Molecules ◽  
Stacking Interactions ◽  
Two Dimensional ◽  
One Dimensional ◽  
Π Stacking ◽  
Dimensional Network ◽  
Hydrogen Bonded

In the crystal structure of the title organic proton-transfer complex, 2C12H11N2 +·C7H4O5S2−·3H2O, the cations form one-dimensional chains via intermolecular N—H...N hydrogen bonds and these chains, in turn, form a two-dimensional network through π–π stacking interactions. In addition, the anions and water molecules are connected into a two-dimensional hydrogen-bonded network through intermolecular O—H...O hydrogen bonds. The two motifs result in sheets of cations and anions stacked alternately.

Benzyldiethylammonium chloride

2006 ◽  
Vol 62 (5) ◽  
pp. o1735-o1737 ◽  
Author(s):  
Daniel Lorono-Gonzalez
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Ionic Species ◽  
Polar Space ◽  
Crystal Structure Analysis ◽  
Two Dimensional ◽  
Compound C ◽  
Dimensional Network

The title compound, C11H18N+·Cl−, crystallizes in a non-centrosymmetric polar space group and possesess normal geometric parameters. The crystal structure analysis reveals a discrete ionic species, for which the packing is consolidated by an N—H...Cl hydrogen bond and C—H...Cl hydrogen bonds, resulting in a two-dimensional network.

scholarly journals (1E,2E)-2-Methyl-3-phenylacrylaldehyde thiosemicarbazone

2012 ◽  
Vol 68 (6) ◽  
pp. o1840-o1840 ◽  
Author(s):  
Rafael Mendoza-Meroño ◽  
Santiago García-Granda
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Two Dimensional ◽  
Π Interactions ◽  
Compound C ◽  
Dimensional Network ◽  
Graph Set

In the crystal structure of the title compound, C11H13N3S, molecules form centrosymmetric synthons with an R 2 2(8) graph-set motif, linked by pairs of N—H...S hydrogen bonds. The synthons are connected through further N—H...S hydrogen bonds, extending the packing to form a two-dimensional network lying parallel to (001). In addition, C—H...π interactions are observed.

Diaquabis(dicyanamido)bis[4-(2-pyridyl)-4H-1,2,4-triazole-κN 1]cobalt(II)

2006 ◽  
Vol 62 (7) ◽  
pp. m1479-m1481 ◽  
Author(s):  
Yu-Hong Ma ◽  
Pi-Zhuang Ma ◽  
Huan-Qin Zhu ◽  
Chang-Cheng Liu
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Title Complex ◽  
Water Molecules ◽  
Two Dimensional ◽  
Complex Molecules ◽  
Dimensional Network

The title complex, [Co(C2N3)2(C7H6N4)2(H2O)2] or [Co(dca)2(pytrz)2(H2O)2], where pytrz is 4-(2-pyridyl)-4H-1,2,4-triazole and dca is the dicyanamide monoanion, was prepared using pytrz, Na(dca) and CoCl2·6H2O. The CoII atom lies on a center of inversion and is coordinated in a slightly distorted octahderal geometry by two pytrz ligands, two dca ligands and two trans-oriented water molecules. In the crystal structure, complex molecules are linked by O—H...N hydrogen bonds into a two-dimensional network and further into a three-dimensional network via weak C—H...N hydrogen bonds.

scholarly journals Crystal structure and Hirshfeld surface analysis of tris(2,2′-bipyridine)nickel(II) bis(1,1,3,3-tetracyano-2-ethoxypropenide) dihydrate

2019 ◽  
Vol 75 (6) ◽  
pp. 867-871
Author(s):  
Ignacio Chi-Duran ◽  
Zouaoui Setifi ◽  
Fatima Setifi ◽  
Christian Jelsch ◽  
Bernd Morgenstern ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Surface Analysis ◽  
Title Compound ◽  
Hirshfeld Surface ◽  
Hirshfeld Surface Analysis ◽  
Racemic Mixture ◽  
Water Molecules ◽  
Monoclinic Space Group ◽  
Two Dimensional

The title compound, [Ni(C10H8N2)3](C9H5N4O)2·2H2O, crystallizes as a racemic mixture in the monoclinic space group C2/c. In the crystal, the 1,1,3,3-tetracyano-2-ethoxypropenide anions and the water molecules are linked by O—H...N hydrogen bonds, forming chains running along the [010] direction. The bpy ligands of the cation are linked to the chain via C—H...π(cation) interactions involving the CH3 group. The intermolecular interactions were investigated by Hirshfeld surface analysis and two-dimensional fingerprint plots.

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