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2-Butyl-11-phenyl-5,10-dihydro-1H-benzo[e]imidazo[1,5-a][1,4]diazepine-1,3(2H)-dione

The title compound, C(21)H(21)N(3)O(2), was obtained following a five-step synthetic procedure yielding weakly diffracting rod and needle-shaped crystals which crystallized concomitantly. Structural analysis of a rod-shaped crystal showed that the central seven-membered heterocyclic ring adopts a co...

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Detalles Bibliográficos
Autores principales: Nichol, Gary S., Gunawan, Steven, Dietrich, Justin, Hulme, Christopher
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2983587/
https://www.ncbi.nlm.nih.gov/pubmed/21580382
http://dx.doi.org/10.1107/S1600536810005477
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author Nichol, Gary S.
Gunawan, Steven
Dietrich, Justin
Hulme, Christopher
author_facet Nichol, Gary S.
Gunawan, Steven
Dietrich, Justin
Hulme, Christopher
author_sort Nichol, Gary S.
collection PubMed
description The title compound, C(21)H(21)N(3)O(2), was obtained following a five-step synthetic procedure yielding weakly diffracting rod and needle-shaped crystals which crystallized concomitantly. Structural analysis of a rod-shaped crystal showed that the central seven-membered heterocyclic ring adopts a conformation that is perhaps best described as a distorted boat, with the H-bearing (CH(2) and NH) atoms lying well out of the least-squares mean plane fitted through the other five atoms in the ring (r.m.s. deviation 0.075 Å). In the crystal, the compound packs as a twisted chain, which propagates along the b axis by means of an R (1) (2)(6) motif formed by one of the carbonyl O atoms acting as a bifurcated acceptor in an N—H⋯O and C—H⋯O inter­action. No diffraction was observed from the needle-shaped crystals.
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spelling pubmed-29835872010-12-30 2-Butyl-11-phenyl-5,10-dihydro-1H-benzo[e]imidazo[1,5-a][1,4]diazepine-1,3(2H)-dione Nichol, Gary S. Gunawan, Steven Dietrich, Justin Hulme, Christopher Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound, C(21)H(21)N(3)O(2), was obtained following a five-step synthetic procedure yielding weakly diffracting rod and needle-shaped crystals which crystallized concomitantly. Structural analysis of a rod-shaped crystal showed that the central seven-membered heterocyclic ring adopts a conformation that is perhaps best described as a distorted boat, with the H-bearing (CH(2) and NH) atoms lying well out of the least-squares mean plane fitted through the other five atoms in the ring (r.m.s. deviation 0.075 Å). In the crystal, the compound packs as a twisted chain, which propagates along the b axis by means of an R (1) (2)(6) motif formed by one of the carbonyl O atoms acting as a bifurcated acceptor in an N—H⋯O and C—H⋯O inter­action. No diffraction was observed from the needle-shaped crystals. International Union of Crystallography 2010-02-13 /pmc/articles/PMC2983587/ /pubmed/21580382 http://dx.doi.org/10.1107/S1600536810005477 Text en © Nichol et al. 2010 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Organic Papers
Nichol, Gary S.
Gunawan, Steven
Dietrich, Justin
Hulme, Christopher
2-Butyl-11-phenyl-5,10-dihydro-1H-benzo[e]imidazo[1,5-a][1,4]diazepine-1,3(2H)-dione
title 2-Butyl-11-phenyl-5,10-dihydro-1H-benzo[e]imidazo[1,5-a][1,4]diazepine-1,3(2H)-dione
title_full 2-Butyl-11-phenyl-5,10-dihydro-1H-benzo[e]imidazo[1,5-a][1,4]diazepine-1,3(2H)-dione
title_fullStr 2-Butyl-11-phenyl-5,10-dihydro-1H-benzo[e]imidazo[1,5-a][1,4]diazepine-1,3(2H)-dione
title_full_unstemmed 2-Butyl-11-phenyl-5,10-dihydro-1H-benzo[e]imidazo[1,5-a][1,4]diazepine-1,3(2H)-dione
title_short 2-Butyl-11-phenyl-5,10-dihydro-1H-benzo[e]imidazo[1,5-a][1,4]diazepine-1,3(2H)-dione
title_sort 2-butyl-11-phenyl-5,10-dihydro-1h-benzo[e]imidazo[1,5-a][1,4]diazepine-1,3(2h)-dione
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2983587/
https://www.ncbi.nlm.nih.gov/pubmed/21580382
http://dx.doi.org/10.1107/S1600536810005477
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