scholarly journals Crystal structure of (ethoxyethylidene)dimethylazanium ethyl sulfate

2015 ◽  
Vol 71 (12) ◽  
pp. o916-o916 ◽  
Author(s):  
Ioannis Tiritiris ◽  
Stefan Saur ◽  
Willi Kantlehner
Keyword(s):  
Crystal Structure ◽  
Double Bond ◽  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Single Bond ◽  
Ethyl Sulfate ◽  
Charge Delocalization ◽  
Dimensional Network ◽  
Iminium Ion ◽  
Bond Character

In the title salt, C6H14NO+·C2H5SO4−, the C—N bond lengths in the cation are 1.2981 (14), 1.4658 (14) and 1.4707 (15) Å, indicating double- and single-bond character, respectively. The C—O bond length of 1.3157 (13) Å shows double-bond character, indicating charge delocalization within the NCO plane of the iminium ion. In the crystal, C—H...O hydrogen bonds between H atoms of the cations and O atoms of neighbouring ethyl sulfate anions are present, generating a three-dimensional network.

scholarly journals Morpholine-4-carboxamidinium sulfate

IUCrData ◽  
2016 ◽  
Vol 1 (1) ◽  
Author(s):  
Ioannis Tiritiris ◽  
Willi Kantlehner
Keyword(s):  
Crystal Structure ◽  
Double Bond ◽  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Planar Geometry ◽  
Asymmetric Unit ◽  
Sulfate Ion ◽  
Double Bond Character ◽  
Dimensional Network ◽  
Bond Character

The asymmetric unit of the title salt, 2C5H12N3O+·SO42−, comprises two cations and one sulfate ion. In both cations, the C, N and O atoms of the morpholine rings are disordered over two sets of sites, with refined occupancies of 0.849 (3):0.151 (3) for cation I and 0.684 (4):0.316 (4) for cation II. The C—N bond lengths in both central C3N units of the carboxamidinium ions range between 1.253 (12) and 1.362 (5) Å, indicating a degree of double-bond character. The central C atoms are bonded to the three N atoms in a nearly ideal trigonal–planar geometry and the positive charges are delocalized in both CN3planes. The crystal structure is stabilized by a three-dimensional network of N—H...O hydrogen bonds between the cations and the sulfate ion. Scheme tiny font, charges and delocalized bonds almost invisible

scholarly journals Crystal structure of (1-ethoxyethylidene)dimethylazanium tetraphenylborate

2015 ◽  
Vol 71 (12) ◽  
pp. o984-o985
Author(s):  
Ioannis Tiritiris ◽  
Stefan Saur ◽  
Willi Kantlehner
Keyword(s):  
Crystal Structure ◽  
Double Bond ◽  
Bond Length ◽  
Single Bond ◽  
Charge Delocalization ◽  
Double Bond Character ◽  
Iminium Ions ◽  
Iminium Ion ◽  
Phenyl Rings ◽  
Bond Character

In the cation of the title salt, C6H14NO+·C24H20B−, the C—N bond lengths are 1.297 (2), 1.464 (2) and 1.468 (2) Å, indicating double- and single-bond character, respectively. The C—O bond length of 1.309 (2) Å shows double-bond character, pointing towards charge delocalization within the NCO plane of the iminium ion. In the crystal, C—H...π interactions between the iminium H atoms and the phenyl C atoms of the anion are present. The phenyl rings form aromatic pockets, in which the iminium ions are embedded.

scholarly journals The effect of hydrogen bonding on the conformations of 2-(1H-indol-3-yl)-2-oxoacetamide and 2-(1H-indol-3-yl)-N,N-dimethyl-2-oxoacetamide

2012 ◽  
Vol 68 (10) ◽  
pp. o405-o407 ◽  
Author(s):  
Vijayakumar N. Sonar ◽  
Sean Parkin ◽  
Peter A. Crooks
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Carbonyl Groups ◽  
Single Bond ◽  
Torsion Angles ◽  
Bonding System ◽  
Dimensional Network ◽  
Hydrogen Bonding System

In the title compounds, C10H8N2O2, (I), and C12H12N2O2, (II), the two carbonyl groups are oriented with torsion angles of −149.3 (3) and −88.55 (15)°, respectively. The single-bond distances linking the two carbonyl groups are 1.528 (4) and 1.5298 (17) Å, respectively. In (I), the molecules are linked by an elaborate system of N—H...O hydrogen bonds, which form adjacentR22(8) andR42(8) ring motifs to generate a ladder-like construct. Adjacent ladders are further linked by N—H...O hydrogen bonds to build a three-dimensional network. The hydrogen bonding in (II) is far simpler, consisting of helical chains of N—H...O-linked molecules that follow the 21screw of thebaxis. It is the presence of an elaborate hydrogen-bonding system in the crystal structure of (I) that leads to the different torsion angle for the orientation of the two adjacent carbonyl groups from that in (II).

scholarly journals Crystal structure of 2-bromo-3-dimethylamino-N,N,N′,N′,4-pentamethyl-4-(trimethylsilyloxy)pent-2-eneamidinium bromide

2015 ◽  
Vol 71 (12) ◽  
pp. o1061-o1062
Author(s):  
Ioannis Tiritiris ◽  
Ralf Kress ◽  
Willi Kantlehner
Keyword(s):  
Crystal Structure ◽  
Double Bond ◽  
Bond Length ◽  
Single Bond ◽  
Charge Delocalization ◽  
Double Bond Character ◽  
Bond Lengths ◽  
Bromide Ions ◽  
Bond Character

The reaction of the orthoamide 1,1,1-tris(dimethylamino)-4-methyl-4-(trimethylsilyloxy)pent-2-yne with bromine in benzene, yields the title salt, C15H33BrN3OSi+·Br−. The C—N bond lengths in the amidinium unit are 1.319 (6) and 1.333 (6) Å, indicating double-bond character, pointing towards charge delocalization within the NCN plane. The C—Br bond length of 1.926 (5) Å is characteristic for a C—Br single bond. Additionally, there is a bromine–bromine interaction [3.229 (3) Å] present involving the anion and cation. In the crystal, weak C—H...Br interactions between the methyl H atoms of the cation and the bromide ions are present.

scholarly journals (Methoxymethylidene)dimethylazanium tetraphenylborate acetonitrile monosolvate

2014 ◽  
Vol 70 (3) ◽  
pp. o333-o333 ◽  
Author(s):  
Ioannis Tiritiris ◽  
Stefan Saur ◽  
Willi Kantlehner
Keyword(s):  
Hydrogen Bond ◽  
Double Bond ◽  
Bond Length ◽  
Two Dimensional ◽  
Single Bond ◽  
Acetonitrile Molecule ◽  
Charge Delocalization ◽  
Iminium Ion ◽  
Phenyl Rings ◽  
Bond Character

In the cation of the title salt, C4H10NO+·C24H20B−·C2H3N, the C—N bond lengths are 1.2864 (16), 1.4651 (17) and 1.4686 (16) Å, indicating double- and single-bond character, respectively. The C—O bond length of 1.2978 (15) Å shows double-bond character, pointing towards charge delocalization within the NCO plane of the iminium ion. C—H...π interactions are present between the methine H atom and two of the phenyl rings of the tetraphenylborate ion. The latter forms an aromatic pocket in which the cation is embedded. The iminium ion is further connected through a C—H...N hydrogen bond to the acetonitrile molecule. This leads to the formation of a two-dimensional supramolecular pattern along thebcplane.

scholarly journals N-Benzyl-N-[2-(N-benzyl-N′,N′,N′′,N′′-tetramethylguanidiniumyl)ethyl]-N′,N′,N′′,N′′-tetramethylguanidinium dibromide 1.5-hydrate

IUCrData ◽  
2016 ◽  
Vol 1 (1) ◽  
Author(s):  
Ioannis Tiritiris ◽  
Willi Kantlehner
Keyword(s):  
Crystal Structure ◽  
Double Bond ◽  
Three Dimensional ◽  
The Other ◽  
Planar Geometry ◽  
Water Molecules ◽  
Asymmetric Unit ◽  
Compound C ◽  
Dimensional Network ◽  
Bond Character

The asymmetric unit of the hydrated title compound, C26H42N62+·2Br−·1.5H2O, comprises one cation, two bromide anions and one and a half water molecules, as one water molecule is fully occupied and the other is only half occupied [0.500 (6)]. Both bromide ions are disordered over two sites with refined occupancies of 0.938 (3):0.062 (3) and 0.520 (9):0.480 (9). The C—N bond lengths in both central C3N units of the bisguanidinium ion range between 1.336 (3) and 1.349 (3) Å, indicating a degree of double-bond character. The central C atoms are bonded to the three N atoms in a nearly ideal trigonal–planar geometry and the positive charges are delocalized in both CN3planes. The crystal structure is stabilized by a three-dimensional network of O—H...O, O—H...Br and C—H...Br hydrogen bonds.

scholarly journals Crystal structure of (E)-N′-(3,4-dihydroxybenzylidene)-4-hydroxybenzohydrazide

2019 ◽  
Vol 75 (8) ◽  
pp. 1280-1283
Author(s):  
Suchada Chantrapromma ◽  
Huey Chong Kwong ◽  
Patcharawadee Prachumrat ◽  
Thawanrat Kobkeatthawin ◽  
Tze Shyang Chia ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Double Bond ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Three Dimensional ◽  
Torsion Angles ◽  
Π Interactions ◽  
Dimensional Network

In the title benzohydrazide derivative, C14H12N2O4, the azomethine C=N double bond has an E configuration. The hydrazide connecting bridge, (C=O)—(NH)—N=(CH), is nearly planar with C—C—N—N and C—N—N=C torsion angles of −177.33 (10) and −174.98 (12)°, respectively. The 4-hydroxyphenyl and 3,4-dihydroxyphenyl rings are slightly twisted, making a dihedral angle of 9.18 (6)°. In the crystal, molecules are connected by N—H...O and O—H...O hydrogen bonds into a three-dimensional network, while further consolidated via π–π interactions [centroid–centroid distances = 3.6480 (8) and 3.7607 (8) Å]. The conformation is compared to those of related benzylidene-4-hydroxybenzohydrazide derivatives.

scholarly journals Crystal structure of 3-[2-(1,3-thiazol-2-yl)diazen-1-yl]pyridine-2,6-diamine monohydrate

2018 ◽  
Vol 74 (4) ◽  
pp. 563-565 ◽  
Author(s):  
Ratanon Chotima ◽  
Bussaba Boonseng ◽  
Akkharadet Piyasaengthong ◽  
Apisit Songsasen ◽  
Kittipong Chainok
Keyword(s):  
Crystal Structure ◽  
Double Bond ◽  
Hydrogen Bonds ◽  
Organic Molecule ◽  
Layer Structure ◽  
Three Dimensional ◽  
Azo Compound ◽  
Compound C ◽  
Dimensional Network ◽  
The Mean

In the title hydrated azo compound, C8H8N6S·H2O, the two aromatic groups are close to coplanar with the dihedral angle between the mean planes of the thiazole and pyridine rings being 2.9 (2)°. The organic molecule adopts an E configuration with respect to the double bond of the azo bridge. In the crystal, molecules are linked by (amine)N—H...N(pyridine), (amine)N—H...O(water) and (water)O—H...N(thiazole) hydrogen bonds along with π–π interactions involving pairs of thiazole rings and pairs of pyridine rings. The plane-to-plane distance between two parallel molecules is 3.7856 (4) Å and corresponds to the length of the a axis. In this way, a layer structure parallel to (010) is formed. The layers are linked by weak C—H...S hydrogen bonds, eventually resulting in a three-dimensional network.

scholarly journals Crystal Structure of (E)-2-(3,3,3-trifluoroprop-1-en-1-yl)aniline

2018 ◽  
Vol 74 (10) ◽  
pp. 1448-1450
Author(s):  
Koji Kubono ◽  
Keita Tani ◽  
Masaaki Omote ◽  
Futa Ogawa ◽  
Taisuke Matsumoto
Keyword(s):  
Crystal Structure ◽  
Double Bond ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Title Compound ◽  
Three Dimensional ◽  
Compound C ◽  
Dimensional Network ◽  
Ribbon Structure ◽  
Ring Motif

The molecule of the title compound, C9H8F3N, adopts an E configuration with respect to the C=C double bond. The dihedral angle between the benzene ring and the prop-1-enyl group is 25.4 (3)°. In the crystal, molecules are linked via pairs of N—H...F hydrogen bonds into inversion dimers with an R 2 2(16) ring motif. The dimers are linked by C—H...N hydrogen bonds, forming a ribbon structure along the b-axis direction. The ribbons are linked by N—H...π and C—H...π interactions, generating a three-dimensional network.

scholarly journals (Butoxymethylidene)dimethylazanium tetraphenylborate acetonitrile monosolvate

2014 ◽  
Vol 70 (4) ◽  
pp. o459-o459 ◽  
Author(s):  
Ioannis Tiritiris ◽  
Stefan Saur ◽  
Willi Kantlehner
Keyword(s):  
Double Bond ◽  
Bond Length ◽  
Two Dimensional ◽  
Single Bond ◽  
Charge Delocalization ◽  
Double Bond Character ◽  
Butyl Group ◽  
Iminium Ion ◽  
Phenyl Rings ◽  
Bond Character

In the title solvated salt, C7H16NO+·C24H20B−·C2H3N, the C—N bond lengths in the cation are 1.2831 (19), 1.467 (2) and 1.465 (2) Å, indicating double- and single-bond character, respectively. The C—O bond length of 1.2950 (18) Å shows a double-bond character, pointing towards charge delocalization within the NCO plane of the iminium ion. The two C atoms of then-butyl group are disordered over the two sites, with refined occupancy ratios of 0.890 (5):0.110 (5) and 0.888 (4):0.112 (4). In the crystal, C—H...π interactions occur between the methine H atom, H atoms of the –N(CH3)2and –CH2groups of the cation, and two of the phenyl rings of the tetraphenylborate anion. The latter interaction forms an aromatic pocket in which the cation is embedded. Thus, a two-dimensional pattern is created in theacplane.

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