1,1′-Biadamantane-3,3′-diol: a two-dimensional network supported by a `hexameric alcohol cluster' supramolecular synthon

2013 ◽  
Vol 69 (2) ◽  
pp. 175-178 ◽  
Author(s):  
Konstantin V. Domasevitch
Keyword(s):  
Title Compound ◽  
Chair Conformation ◽  
The Other ◽  
Two Dimensional ◽  
Supramolecular Synthon ◽  
Hexagonal Packing ◽  
Compound C ◽  
Dimensional Network ◽  
Grid Topology ◽  
Independent Molecules

In the title compound, C20H30O2, one of the two crystallographically independent molecules lies across a centre of inversion and the other resides in a general position (Z′ = 1.5). The supramolecular structure exists as an unusual two-dimensional network incorporating centrosymmetric hexameric hydrogen-bonded alcohol (OH)6clusters [O...O = 2.6637 (12)–2.6993 (12) Å] as the net nodes. The hexamers adopt a chair conformation [O...O...O = 106.55 (4)–115.81 (4)°] and are connected into a network with a square-grid topology (44) by a combination of single and double 1,1′-biadamantanediyl links. The bulky aliphatic groups appear to require specific hexagonal packing and so generate distinct noncovalent hydrophobic layers, which are essential for the stabilization of the hexameric alcohol array rather than the formation of the more commonly encountered tetramer-based arrays.

scholarly journals 3β-Chloro-5α-cholestan-6-one

2012 ◽  
Vol 68 (4) ◽  
pp. o1211-o1212
Author(s):  
Samina Khan Yusufzai ◽  
Hasnah Osman ◽  
Aisyah Saad Abdul Rahim ◽  
Suhana Arshad ◽  
Ibrahim Abdul Razak
Keyword(s):  
Hydrogen Bonds ◽  
Chair Conformation ◽  
The Other ◽  
Two Dimensional ◽  
Asymmetric Unit ◽  
Compound C ◽  
Dimensional Network ◽  
Cyclopentane Ring ◽  
Fused Ring ◽  
Independent Molecules

The asymmetric unit of the title compound, C27H45ClO, consists of two crystallographically independent molecules. In both molecules, the three cyclohexane rings in the steroid fused-ring systems adopt chair conformations, while the cyclopentane ring adopts a half-chair conformation in one molecule and an envelope conformation in the other. In the crystal, the molecules are linked into a two-dimensional network by weak C—H...O hydrogen bonds. The crystal studied is a nonmerohedral twin with a refined ratio of twin components of 0.264 (3):0.736 (3).

scholarly journals (1R,4R,6S,7R)-5,5-Dibromo-1,4,8,8-tetramethyltricyclo[5.4.1.04,6]dodecan-12-one

2014 ◽  
Vol 70 (5) ◽  
pp. o526-o526 ◽  
Author(s):  
Mohamed Zaki ◽  
Ahmed Benharref ◽  
Jean-Claude Daran ◽  
Moha Berraho
Keyword(s):  
Title Compound ◽  
Chair Conformation ◽  
Membered Ring ◽  
The Other ◽  
Boat Conformation ◽  
Asymmetric Unit ◽  
Cedrus Atlantica ◽  
Compound C ◽  
Independent Molecules

The title compound, C16H24Br2O, was synthesized from the reaction of β-himachalene (3,5,5,9-tetramethyl-2,4a,5,6,7,8-hexahydro-1H-benzocycloheptene), which was isolated from Atlas cedar (Cedrus atlantica). The asymmetric unit contains two independent molecules with similar conformations. Each molecule is built up from two fused seven-membered rings and an additional three-membered ring. In both molecules, one of the seven-membered rings has a chair conformation, whereas the other displays a screw-boat conformation.

scholarly journals 1-Methyl-3-(2-methylphenyl)-3a-nitro-1,2,3,3a,4,9b-hexahydrochromeno[4,3-b]pyrrole

2012 ◽  
Vol 68 (6) ◽  
pp. o1735-o1735
Author(s):  
S. Sundaramoorthy ◽  
N. Sivakumar ◽  
M. Bakthadoss ◽  
D. Velmurugan
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Chair Conformation ◽  
The Other ◽  
Asymmetric Unit ◽  
Pyran Ring ◽  
Pyrrolidine Ring ◽  
Π Interactions ◽  
Compound C ◽  
Independent Molecules

The asymmetric unit of the title compound, C19H20N2O3, contains two independent molecules in both of which the pyrrolidine ring adopts an envelope conformation, but with a C atom as the flap in one molecule and the N atom in the other. The pyran ring adopts a half-chair conformation in both molecules. In the crystal, molecules are linked via C—H...O hydrogen bonds and C—H...π interactions.

scholarly journals 11β-Hydroxymedroxyprogesterone

IUCrData ◽  
2016 ◽  
Vol 1 (7) ◽  
Author(s):  
Sharifah Nurfazilah Wan Yusop ◽  
Sadia Sultan ◽  
Bohari M. Yamin ◽  
Syed Adnan Ali Shah ◽  
Humera Naz
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Chair Conformation ◽  
Two Dimensional ◽  
Compound C ◽  
Dimensional Network ◽  
Cyclopentane Ring

The title compound, C22H32O4, a fungal-transformed metabolite of medroxyprogesterone, comprises one cyclohexanone ring, two cyclohexane rings and one cyclopentane ring fused together. The cyclohexanone ring has a half-chair conformation, while the cyclohexane rings possess chair conformations and the cyclopentane ring has a twisted conformation on the fused C—C bond. In the crystal, molecules are linked by strong O—H...O and also C—H...O hydrogen bonds, creating a two-dimensional network parallel to (10-1).

scholarly journals 5-Acetyl-3-amino-4-(4-methoxyphenyl)-6-methylthieno[2,3-b]pyridine-2-carbonitrile

IUCrData ◽  
2017 ◽  
Vol 2 (12) ◽  
Author(s):  
Shaaban K. Mohamed ◽  
Joel T. Mague ◽  
Mehmet Akkurt ◽  
Etify A. Bakhite ◽  
Elham A. Al-Taifi
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Pyridine Ring ◽  
Independent Molecule ◽  
Two Dimensional ◽  
Asymmetric Unit ◽  
Compound C ◽  
Dimensional Network ◽  
The Mean ◽  
Independent Molecules

The asymmetric unit of the title compound, C18H15N3O2S, comprises two independent molecules, which differ primarily in the orientations of the acetyl andp-anisyl substituents, each being rotated in opposite directions from the mean plane of the pyridine ring. The major feature of the molecular packing is the formation of a two-dimensional network parallel to the (110) plane, being mediated by amine-N—H...O(carbonyl) hydrogen bonds involving one amine H atom of each independent molecule. The remaining amine-H atoms form significantly weaker N—H...O(methoxy) interactions.

scholarly journals Crystal structure of (1R,3S,8R,11R)-11-acetyl-3,7,7-trimethyl-10-oxatricyclo[6.4.0.01,3]dodecan-9-one

2015 ◽  
Vol 71 (12) ◽  
pp. o1013-o1014
Author(s):  
Abdoullah Bismoussa ◽  
My Youssef Ait Itto ◽  
Jean-Claude Daran ◽  
Abdelwahed Auhmani ◽  
Aziz Auhmani
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Chair Conformation ◽  
Membered Ring ◽  
Boat Conformation ◽  
Two Dimensional ◽  
Compound C ◽  
Dimensional Network ◽  
A Minor

The title compound, C16H24O3, is built up from three fused rings, a six-membered, a seven-membered and a three-membered ring. The absolute configuration of the title compound was determined as (1R,3S,8R,11R) based on the synthetic pathway. The six-membered ring has an half-chair conformation whereas the seven-membered ring displays a boat conformation. In the cyrstal, C—H...O hydrogen bonds build up a two-dimensional network parallel to (0 0 1). The crystal studied was an inversion twin with a minor twin component of 34%.

scholarly journals Poly[diethylammonium [tetra-μ2-cyanido-κ8 C:N-tricuprate(I)]], a two-dimensional network solid

IUCrData ◽  
2020 ◽  
Vol 5 (7) ◽  
Author(s):  
Peter W. R. Corfield ◽  
Thomas James Stavola
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
The Other ◽  
Two Dimensional ◽  
Rotation Axes ◽  
Compound C ◽  
Dimensional Network

The title compound, (C4H12N)[Cu3(CN)4] n , crystallizes as a CuCN network solid, with diethylammonium cations sandwiched between planar CuCN sheets comprised of trigonal planar and digonally coordinated CuI atoms bridged by linear CN groups to form 24-membered rings. The digonally coordinated CuI atoms and the diethylammonium cations lie on separate crystallographic twofold rotation axes. One of the two independent CN groups has a 50:50 disordered orientation, while the other has one orientation favored due to a N—H...NC hydrogen bond between the diethylammonium cation and the anionic CuCN framework. These hydrogen bonds link the sheets together into a three-dimensional network.

scholarly journals 1-(2,4-Difluorophenyl)thiourea

2012 ◽  
Vol 68 (8) ◽  
pp. o2460-o2460 ◽  
Author(s):  
Hoong-Kun Fun ◽  
Ching Kheng Quah ◽  
Prakash S. Nayak ◽  
B. Narayana ◽  
B. K. Sarojini
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
The Other ◽  
Two Dimensional ◽  
Asymmetric Unit ◽  
Compound C ◽  
Independent Molecules

The asymmetric unit of the title compound, C7H6F2N2S, consists of two independent molecules, with comparable geometries. In one molecule, the thiourea moiety is essentially planar (r.m.s. deviation = 0.014 Å) and it forms a dihedral angle of 78.67 (9)° with the benzene ring. The corresponding r.m.s. deviation and dihedral angle for the other molecule are 0.011 Å and 81.71 (8)°, respectively. In both molecules, one of the F atoms is disordered over two positions with refined site occupancies of 0.572 (3):0.428 (3) and 0.909 (2):0.091 (2), respectively. In the crystal, molecules are linkedviaN—H...S and C—H...F hydrogen bonds into two-dimensional networks parallel to (010).

scholarly journals 1-[(1S,6R,7S,9R)-8,8-Dibromo-5,5,9-trimethyltricyclo[4.4.0.17,9]decan-1-yl]ethanone

2014 ◽  
Vol 70 (4) ◽  
pp. o444-o444 ◽  
Author(s):  
Mohamed Zaki ◽  
Ahmed Benharref ◽  
Lahcen El Ammari ◽  
Mohamed Saadi ◽  
Moha Berraho
Keyword(s):  
Title Compound ◽  
Resonance Scattering ◽  
Chair Conformation ◽  
Membered Ring ◽  
The Other ◽  
Boat Conformation ◽  
Asymmetric Unit ◽  
Compound C ◽  
Independent Molecules ◽  
Absolute Structure

The title compound, C16H24Br2O, was synthesized by three steps from β-himachalene (3,5,5,9-tetramethyl-2,4a,5,6,7,8-hexahydro-1H-benzocycloheptene), which was isolated from essential oil of the Atlas cedarcedrus atlantica. The asymmetric unit contains two independent molecules with almost identical conformations. Each molecule is built up from two fused six-membered rings, one having a chair conformation and the other a boat conformation, and an additional three-membered ring arising from the reaction of himachalene with dibromocarbene. In the crystal, there are no significant intermolecular interactions present. The absolute structure of the title compound was confirmed by resonance scattering.

scholarly journals 7′-Amino-1′H-spiro[cycloheptane-1,2′-pyrimido[4,5-d]pyrimidin]-4′(3′H)-one

2012 ◽  
Vol 68 (8) ◽  
pp. o2546-o2546
Author(s):  
Shu Chen ◽  
Daxin Shi ◽  
Mingxing Liu ◽  
Jiarong Li
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Chair Conformation ◽  
Boat Conformation ◽  
Compound C ◽  
Dimensional Network

The title compound, C12H17N5O, was obtained by cyclocondensation of 2,4-diaminopyrimidine-5-carbonitrile with cycloheptanone. The tetrahydropyrimidine ring has a distorted boat conformation and the cycloheptane ring adopts a chair conformation. In the crystal, molecules are linkedviaN—H...O and N—H...N hydrogen bonds generating a three-dimensional network.

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