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Crystal structures of ethyl {2-[4-(4-iso-propyl-phen-yl)thia-zol-2-yl]phen-yl}carbamate and ethyl {2-[4-(3-nitro-phen-yl)thia-zol-2-yl]phen-yl}carbamate.

ABSTRACT: The title compounds, C₂₁H₂₂N₂O₂S (I) and C₁₈H₁₅N₃O₄S (II), are structural analogs of the alkaloid Thio-sporine B. Both mol-ecules adopt a near-planar V-shaped conformation, which is consolidated by intra-molecular N-H?N and C-H?O hydrogen bonds. The crystal structure of (I) consists of mlecular stacks along the a axis, in which the mol-ecules are linked to each other by ?(S)??(C) inter-actions. In the crystal of (II), mol-ecules are linked into chains by C-H?O hydrogen bonds and the chains are cross-linked into (100) sheets by ?-? stacking inter-actions.

SUBMITTER: Sukhonosova EV

PROVIDER: S-EPMC5120716 | biostudies-literature | 2016 Sep

REPOSITORIES: biostudies-literature

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Crystal structures of ethyl {2-[4-(4-iso-propyl-phen-yl)thia-zol-2-yl]phen-yl}carbamate and ethyl {2-[4-(3-nitro-phen-yl)thia-zol-2-yl]phen-yl}carbamate.

Sukhonosova Elena V EV Sokov Sergey A SA Ostapenko Gennady I GI Bunev Alexander S AS Dorovatovskii Pavel V PV Zubavichus Yan V YV Khrustalev Victor N VN

Acta crystallographica. Section E, Crystallographic communications 20160819 Pt 9

The title compounds, C21H22N2O2S (I) and C18H15N3O4S (II), are structural analogs of the alkaloid Thio-sporine B. Both mol-ecules adopt a near-planar V-shaped conformation, which is consolidated by intra-molecular N-H⋯N and C-H⋯O hydrogen bonds. The crystal structure of (I) consists of mlecular stacks along the a axis, in which the mol-ecules are linked to each other by π(S)⋯π(C) inter-actions. In the ...[more]

PMID: 27920926

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