Dimethyl 4,4´-dihydroxy-3,3´-{[(3aRS,7aRS )-2,3,3a,4,5,6,7,7a-octahydro-1H-1,3-benzimidazole-1,3-diyl] bis(methylene)}dibenzoate
Result description
The title compound, 25CH30N2O6, has the imidazolidine ring in an envelope conformation. There are two intramolecular O-H...N hydrogen-bond interactions with graph-set motif S(6). The cyclohexane ring adopts a slightly distorted chair conformation. One methyl carboxylate substituent forms a dihedral angle of 12.00 (5)° with the plane of the benzene ring, while the other methyl carboxylate group is almost coplanar, making a dihedral angle of 2.26 (9)°. In the crystal, pairs of intermolecular C-H...O hydrogen bonds form racemic dimers. Further weak C-H...O interactions generate a chain running along the c axis.
Keywords
The result's identifiers
Result code in IS VaVaI
Result on the web
DOI - Digital Object Identifier
Alternative languages
Result language
angličtina
Original language name
Dimethyl 4,4´-dihydroxy-3,3´-{[(3aRS,7aRS )-2,3,3a,4,5,6,7,7a-octahydro-1H-1,3-benzimidazole-1,3-diyl] bis(methylene)}dibenzoate
Original language description
The title compound, 25CH30N2O6, has the imidazolidine ring in an envelope conformation. There are two intramolecular O-H...N hydrogen-bond interactions with graph-set motif S(6). The cyclohexane ring adopts a slightly distorted chair conformation. One methyl carboxylate substituent forms a dihedral angle of 12.00 (5)° with the plane of the benzene ring, while the other methyl carboxylate group is almost coplanar, making a dihedral angle of 2.26 (9)°. In the crystal, pairs of intermolecular C-H...O hydrogen bonds form racemic dimers. Further weak C-H...O interactions generate a chain running along the c axis.
Czech name
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Czech description
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Classification
Type
Jx - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP classification
BM - Solid-state physics and magnetism
OECD FORD branch
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Result continuities
Project
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Continuities
Z - Vyzkumny zamer (s odkazem do CEZ)
Others
Publication year
2011
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Acta Crystallographica section E - Structure Reports Online
ISSN
1600-5368
e-ISSN
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Volume of the periodical
67
Issue of the periodical within the volume
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Country of publishing house
DK - DENMARK
Number of pages
14
Pages from-to
"o2911"-"U276"
UT code for WoS article
000297859000014
EID of the result in the Scopus database
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Result type
Jx - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP
BM - Solid-state physics and magnetism
Year of implementation
2011