1976
DOI: 10.1107/s0567740876004755
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The crystal and molecular structure of 5,6-dihydro-2-thiouracil, C4H6N2OS

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Cited by 17 publications
(3 citation statements)
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“…The bond lengths and angles about the molecular framework common to the three structures are similar. The values of these parameters also agree with those reported for other 1,4-dihydropyrimidine calcium channel antagonists and related compounds [17][18][19][20][21][22]. Because of conjugation of the dihydropyrimidine ring, the bond lengths N1--C6 and N5--C6 are shorter than N1--C2 and N5--C4.…”
Section: Resultssupporting
confidence: 88%
“…The bond lengths and angles about the molecular framework common to the three structures are similar. The values of these parameters also agree with those reported for other 1,4-dihydropyrimidine calcium channel antagonists and related compounds [17][18][19][20][21][22]. Because of conjugation of the dihydropyrimidine ring, the bond lengths N1--C6 and N5--C6 are shorter than N1--C2 and N5--C4.…”
Section: Resultssupporting
confidence: 88%
“…In heterocyclic compounds the sulphur atom can also act as a hydrogen-bond acceptor [58]. Because of its reduced electro negativity, a S atom should be a weaker hydrogen-bond acceptor than an O atom [59].…”
Section: Discussionmentioning
confidence: 99%
“…There are two pseudo-symmetric molecules with two water oxygens and two chlorides in the asymmetric unit. Table S1 (ESI) compares the bond lengths of MMTU with those of 5,6-dihydro-2thiouracil, 43 5,6-dihydrouracil, 44 2,4-dithiouracil, 45 uracil 46 and 6-amino-2-thiouracil monohydrate. 47 The C( 5 47 The valence angles at N1 and N3 are larger than 120Њ and these N atoms have extra-annular H atoms, in accordance with observations cited elsewhere.…”
Section: Molecular Topology Of Mmtumentioning
confidence: 99%