Crystallography Open Database

Information card for entry 7239649

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Coordinates	7239649.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H18 N4 O2
Calculated formula	C15 H18 N4 O2
Title of publication	Role of substituents on resonance assisted hydrogen bonding vs. intermolecular hydrogen bonding
Authors of publication	Gurbanov, Atash V.; Kuznetsov, Maxim L.; Demukhamedova, Svetlana D.; Alieva, Irada N.; Godjaev, Niftali M.; Zubkov, Fedor I.; Mahmudov, Kamran T.; Pombeiro, Armando J. L.
Journal of publication	CrystEngComm
Year of publication	2020
Journal volume	22
Journal issue	4
Pages of publication	628 - 633
a	7.6003 ± 0.0004 Å
b	19.5864 ± 0.0012 Å
c	10.5405 ± 0.0006 Å
α	90°
β	93.758 ± 0.002°
γ	90°
Cell volume	1565.71 ± 0.15 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0506
Residual factor for significantly intense reflections	0.0379
Weighted residual factors for significantly intense reflections	0.091
Weighted residual factors for all reflections included in the refinement	0.0994
Goodness-of-fit parameter for all reflections included in the refinement	1.027
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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