Diethyl 2,6-dimethyl-4-[5-(4-nitro­phen­yl)-2-fur­yl]-1,4-dihydro­pyridine-3,5-dicarboxyl­ate

In the crystal structure of the title compound, C₂₃H₂₄N₂O₇, mol­ecules are linked by N—H...O hydrogen bonds into infinite chains. The substituted 1,4-dihydro­pyridine ring has a shallow boat conformation. The 4-nitro­phenyl and 2-furyl rings are twisted in the same direction and are approximately perpendicular to the 1,4-dihydro­pyridine (DHP) ring. The carbonyl groups of the ester groups, at positions 3 and 5 in the 1,4-DHP ring, have different (cis/trans) configurations with respect to the double bonds in the 1,4-DHP ring

Key indicators

• Single-crystal X-ray study
• T = 300 K
• Mean [sigma](C-C) = 0.008 Å
• R factor = 0.064
• wR factor = 0.186
• Data-to-parameter ratio = 7.8

checkCIF/PLATON results

No syntax errors found



Alert level B
PLAT220_ALERT_2_B Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       4.41 Ratio
PLAT222_ALERT_3_B Large Non-Solvent    H     Ueq(max)/Ueq(min) ...       4.37 Ratio
PLAT241_ALERT_2_B Check High      Ueq as Compared to Neighbors for        C52
PLAT242_ALERT_2_B Check Low       Ueq as Compared to Neighbors for        O51

Alert level C
PLAT089_ALERT_3_C Poor Data / Parameter Ratio (Zmax .LT. 18) .....       7.77
PLAT165_ALERT_3_C Nr. of Status R Flagged Non-Hydrogen Atoms .....          1
PLAT213_ALERT_2_C Atom C52     has ADP max/min Ratio .............       3.10 prolat
PLAT220_ALERT_2_C Large Non-Solvent    O     Ueq(max)/Ueq(min) ...       2.85 Ratio
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        N15
PLAT340_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ...          8
PLAT380_ALERT_4_C Check Incorrectly? Oriented X(sp2)-Methyl Moiety        C21
PLAT432_ALERT_2_C Short Inter X...Y Contact  O15    ..  C17     ..       3.01 Ang.
PLAT731_ALERT_1_C Bond    Calc   1.483(12), Rep    1.484(5) ......       2.40 su-Rat
              C32  -C33     1.555   1.555
PLAT731_ALERT_1_C Bond    Calc   1.445(13), Rep    1.447(5) ......       2.60 su-Rat
              C52  -C53     1.555   1.555
PLAT751_ALERT_4_C Bond    Calc     1.46691, Rep    1.467(8) ......  Senseless su
              C6   -C61     1.555   1.555
PLAT752_ALERT_4_C Angle   Calc      126.04, Rep    126.0(5) ......  Senseless su
              C5   -C6   -C61     1.555   1.555   1.555
PLAT752_ALERT_4_C Angle   Calc      115.06, Rep    115.1(5) ......  Senseless su
              N1   -C6   -C61     1.555   1.555   1.555
PLAT753_ALERT_4_C Torsion Calc       -7.30, Rep     -7.3(9) ......  Senseless su
              C51 -C5  -C6  -C61    1.555   1.555   1.555   1.555
PLAT753_ALERT_4_C Torsion Calc      172.66, Rep    172.6(5) ......  Senseless su
              C4  -C5  -C6  -C61    1.555   1.555   1.555   1.555
PLAT753_ALERT_4_C Torsion Calc      162.41, Rep    162.4(5) ......  Senseless su
              C61 -C6  -N1  -C2     1.555   1.555   1.555   1.555

Alert level G
REFLT03_ALERT_4_G Please check that the estimate of the number of Friedel pairs is
            correct. If it is not, please give the correct count in the
            _publ_section_exptl_refinement section of the submitted CIF.
           From the CIF: _diffrn_reflns_theta_max           26.37
           From the CIF: _reflns_number_total               2222
           Count of symmetry unique reflns         2231
           Completeness (_total/calc)             99.60%
           TEST3: Check Friedels for noncentro structure
           Estimate of Friedel pairs measured         0
           Fraction of Friedel pairs measured     0.000
           Are heavy atom types Z>Si present         no

   0 ALERT level A = In general: serious problem
   4 ALERT level B = Potentially serious problem
  16 ALERT level C = Check and explain
   1 ALERT level G = General alerts; check

   2 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   7 ALERT type 2 Indicator that the structure model may be wrong or deficient
   4 ALERT type 3 Indicator that the structure quality may be low
   8 ALERT type 4 Improvement, methodology, query or suggestion

---

Computing details

Data collection: CrysAlis CCD (Oxford Diffraction, 2002); cell refinement: CrysAlis CCD; data reduction: CrysAlis RED (Oxford Diffraction, 2002); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEP-3 for Windows (Farrugia, 1997); software used to prepare material for publication: SHELXL97.

Diethyl 2,6-dimethyl-4-[5-(4-nitrophenyl)-2-furyl]-1,4-dihydropyridine-3,5- dicarboxylate

Crystal data

C23H24N2O7	F(000) = 928
Mr = 440.44	Dx = 1.380 Mg m^−3
Orthorhombic, Pca21	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: P 2c -2ac	Cell parameters from 2029 reflections
a = 12.940 (2) Å	θ = 4.5–19.1°
b = 8.143 (1) Å	µ = 0.10 mm^−1
c = 20.114 (2) Å	T = 300 K
V = 2119.4 (5) Å^3	Needle, yellow
Z = 4	0.50 × 0.25 × 0.15 mm

Data collection

Oxford Diffraction Xcalibur CCD diffractometer	1615 reflections with I > 2σ(I)
Radiation source: fine-focus sealed tube	Rint = 0.059
Graphite monochromator	θmax = 26.4°, θmin = 4.2°
area detector ω and φ scans	h = −16→11
13748 measured reflections	k = −10→10
2222 independent reflections	l = −25→25

Refinement

Refinement on F^2	Secondary atom site location: difference Fourier map
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F^2 > 2σ(F^2)] = 0.064	H-atom parameters constrained
wR(F^2) = 0.186	w = 1/[σ^2(Fo^2) + (0.1339P)^2] where P = (Fo^2 + 2Fc^2)/3
S = 1.00	(Δ/σ)max = 0.004
2222 reflections	Δρmax = 0.42 e Å^−3
286 parameters	Δρmin = −0.50 e Å^−3
3 restraints	Absolute structure: rm
Primary atom site location: structure-invariant direct methods

Special details

Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq
C2	−0.0022 (4)	0.9705 (6)	0.8295 (3)	0.0487 (11)
C3	0.0861 (4)	1.0382 (6)	0.8495 (2)	0.0446 (10)
C4	0.1394 (4)	0.9737 (6)	0.9109 (2)	0.0454 (10)
H4	0.1744	1.0667	0.9321	0.054*
C5	0.0627 (4)	0.9075 (7)	0.9598 (3)	0.0540 (12)
C6	−0.0281 (4)	0.8476 (6)	0.9365 (3)	0.0517 (12)
C7	0.2205 (3)	0.8546 (6)	0.8907 (2)	0.0446 (10)
C8	0.2294 (4)	0.7571 (7)	0.8377 (3)	0.0626 (14)
H8	0.1840	0.7489	0.8020	0.075*
C9	0.3215 (4)	0.6698 (7)	0.8473 (3)	0.0586 (13)
H9	0.3495	0.5927	0.8183	0.070*
C10	0.3623 (3)	0.7172 (6)	0.9059 (3)	0.0468 (10)
C12	0.4504 (4)	0.6726 (5)	0.9462 (3)	0.0472 (11)
C13	0.5256 (4)	0.5706 (6)	0.9217 (3)	0.0569 (13)
H13	0.5221	0.5353	0.8778	0.068*
C14	0.6050 (4)	0.5206 (7)	0.9605 (3)	0.0639 (15)
H14	0.6555	0.4509	0.9435	0.077*
C15	0.6103 (4)	0.5737 (6)	1.0253 (3)	0.0576 (14)
C16	0.5376 (4)	0.6788 (7)	1.0503 (3)	0.0641 (15)
H16	0.5417	0.7162	1.0939	0.077*
C17	0.4591 (4)	0.7274 (6)	1.0097 (3)	0.0567 (13)
H17	0.4100	0.8004	1.0260	0.068*
C21	−0.0569 (4)	0.9941 (8)	0.7637 (3)	0.0635 (14)
H21A	−0.0738	1.1080	0.7580	0.076*
H21B	−0.1191	0.9299	0.7631	0.076*
H21C	−0.0124	0.9593	0.7282	0.076*
C31	0.1426 (4)	1.1659 (6)	0.8159 (3)	0.0511 (12)
C32	0.1400 (5)	1.3689 (9)	0.7359 (4)	0.088 (2)
H32A	0.1931	1.3223	0.7075	0.105*
H32B	0.1724	1.4440	0.7669	0.105*
C33	0.0616 (7)	1.4560 (12)	0.6953 (5)	0.124 (4)
H33A	0.0316	1.3810	0.6639	0.149*
H33B	0.0939	1.5450	0.6718	0.149*
H33C	0.0085	1.4986	0.7238	0.149*
C51	0.0849 (5)	0.9072 (9)	1.0306 (3)	0.0728 (18)
C52	0.1900 (8)	1.012 (2)	1.1124 (4)	0.174 (7)
H52A	0.1316	0.9719	1.1378	0.209*
H52B	0.1925	1.1308	1.1173	0.209*
C53	0.2844 (4)	0.9411 (7)	1.1379 (3)	0.197 (8)
H53A	0.2901	0.9641	1.1846	0.236*
H53B	0.3425	0.9874	1.1149	0.236*
H53C	0.2832	0.8244	1.1311	0.236*
C61	−0.1069 (4)	0.7616 (7)	0.9757 (3)	0.0709 (16)
H61A	−0.0772	0.6651	0.9953	0.085*
H61B	−0.1633	0.7307	0.9474	0.085*
H61C	−0.1318	0.8329	1.0102	0.085*
N1	−0.0497 (3)	0.8622 (5)	0.8702 (2)	0.0544 (10)
H1	−0.0961	0.7989	0.8535	0.065*
N15	0.6922 (4)	0.5165 (7)	1.0683 (4)	0.0804 (17)
O11	0.2994 (2)	0.8319 (4)	0.93239 (17)	0.0457 (8)
O15	0.7581 (4)	0.4352 (7)	1.0465 (4)	0.115 (2)
O16	0.6860 (5)	0.5505 (9)	1.1282 (4)	0.123 (2)
O31	0.0870 (3)	1.2428 (5)	0.7706 (2)	0.0651 (10)
O32	0.2294 (3)	1.2048 (5)	0.8288 (2)	0.0672 (11)
O51	0.1766 (4)	0.9719 (7)	1.0446 (2)	0.0816 (14)
O52	0.0285 (5)	0.8658 (11)	1.0740 (3)	0.129 (2)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
C2	0.044 (2)	0.055 (3)	0.047 (2)	0.007 (2)	−0.003 (2)	0.004 (2)
C3	0.045 (2)	0.047 (2)	0.042 (2)	0.0070 (19)	0.001 (2)	0.0008 (19)
C4	0.045 (2)	0.047 (2)	0.044 (3)	0.0029 (18)	−0.001 (2)	−0.002 (2)
C5	0.053 (3)	0.056 (3)	0.053 (3)	0.015 (2)	0.004 (2)	0.006 (2)
C6	0.048 (3)	0.055 (3)	0.052 (3)	0.007 (2)	0.004 (2)	0.005 (2)
C7	0.043 (2)	0.048 (2)	0.043 (2)	0.0022 (18)	0.001 (2)	0.002 (2)
C8	0.059 (3)	0.068 (3)	0.060 (3)	0.005 (2)	−0.011 (3)	−0.014 (3)
C9	0.063 (3)	0.057 (3)	0.056 (3)	0.011 (2)	0.008 (3)	−0.005 (2)
C10	0.043 (2)	0.046 (2)	0.052 (3)	0.0060 (18)	0.005 (2)	0.002 (2)
C12	0.046 (2)	0.041 (2)	0.055 (3)	0.0023 (18)	0.004 (2)	0.002 (2)
C13	0.059 (3)	0.058 (3)	0.054 (3)	0.012 (2)	0.007 (2)	0.001 (2)
C14	0.049 (3)	0.063 (3)	0.079 (4)	0.016 (2)	0.008 (3)	0.003 (3)
C15	0.042 (2)	0.051 (3)	0.080 (4)	0.002 (2)	−0.011 (3)	0.006 (3)
C16	0.053 (3)	0.066 (3)	0.074 (4)	0.003 (3)	−0.004 (3)	−0.013 (3)
C17	0.043 (2)	0.050 (3)	0.077 (4)	0.009 (2)	−0.004 (2)	−0.012 (3)
C21	0.057 (3)	0.085 (4)	0.049 (3)	0.000 (3)	−0.012 (3)	0.004 (3)
C31	0.046 (3)	0.055 (3)	0.052 (3)	0.011 (2)	0.004 (2)	0.002 (2)
C32	0.083 (4)	0.085 (5)	0.095 (5)	0.000 (4)	0.016 (4)	0.040 (4)
C33	0.129 (7)	0.117 (6)	0.126 (8)	0.009 (5)	0.014 (6)	0.068 (6)
C51	0.069 (4)	0.102 (5)	0.048 (3)	0.027 (3)	0.009 (3)	0.011 (3)
C52	0.139 (9)	0.33 (2)	0.050 (5)	0.041 (9)	−0.029 (5)	−0.050 (8)
C53	0.152 (11)	0.37 (2)	0.069 (6)	0.051 (12)	−0.021 (7)	−0.065 (10)
C61	0.059 (3)	0.079 (4)	0.075 (4)	0.005 (3)	0.015 (3)	0.017 (3)
N1	0.049 (2)	0.056 (2)	0.059 (3)	−0.0051 (18)	−0.0060 (19)	0.000 (2)
N15	0.060 (3)	0.074 (3)	0.107 (5)	0.011 (3)	−0.018 (3)	0.008 (3)
O11	0.0436 (16)	0.0461 (16)	0.0474 (17)	0.0059 (13)	−0.0022 (15)	−0.0013 (14)
O15	0.079 (3)	0.124 (4)	0.140 (5)	0.059 (3)	−0.005 (3)	0.010 (4)
O16	0.107 (4)	0.143 (5)	0.120 (5)	0.039 (3)	−0.054 (4)	−0.023 (4)
O31	0.060 (2)	0.075 (2)	0.061 (2)	−0.0042 (18)	−0.0057 (18)	0.0229 (19)
O32	0.044 (2)	0.071 (2)	0.086 (3)	−0.0043 (16)	−0.0032 (19)	0.015 (2)
O51	0.071 (3)	0.134 (4)	0.039 (2)	0.026 (3)	−0.0102 (18)	−0.010 (2)
O52	0.113 (4)	0.216 (8)	0.060 (3)	−0.019 (5)	0.014 (3)	0.037 (4)

Geometric parameters (Å, º)

C2—C3	1.331 (7)	C16—H16	0.9300
C2—N1	1.351 (7)	C17—H17	0.9300
C2—C21	1.513 (7)	C21—H21A	0.9600
C3—C31	1.440 (7)	C21—H21B	0.9600
C3—C4	1.509 (6)	C21—H21C	0.9600
C4—C7	1.486 (7)	C31—O32	1.196 (6)
C4—C5	1.498 (7)	C31—O31	1.319 (6)
C4—H4	0.9800	C32—O31	1.418 (7)
C5—C6	1.356 (7)	C32—C33	1.484 (5)
C5—C51	1.453 (8)	C32—H32A	0.9700
C6—N1	1.368 (7)	C32—H32B	0.9700
C6—C61	1.467 (8)	C33—H33A	0.9600
C7—C8	1.333 (7)	C33—H33B	0.9600
C7—O11	1.335 (5)	C33—H33C	0.9600
C8—C9	1.401 (8)	C51—O52	1.187 (8)
C8—H8	0.9300	C51—O51	1.328 (8)
C9—C10	1.349 (8)	C52—O51	1.414 (9)
C9—H9	0.9300	C52—C53	1.447 (5)
C10—O11	1.349 (5)	C52—H52A	0.9700
C10—C12	1.444 (7)	C52—H52B	0.9700
C12—C17	1.358 (7)	C53—H53A	0.9600
C12—C13	1.372 (7)	C53—H53B	0.9600
C13—C14	1.352 (8)	C53—H53C	0.9600
C13—H13	0.9300	C61—H61A	0.9600
C14—C15	1.377 (9)	C61—H61B	0.9600
C14—H14	0.9300	C61—H61C	0.9600
C15—C16	1.367 (8)	N1—H1	0.8600
C15—N15	1.444 (7)	N15—O15	1.165 (8)
C16—C17	1.362 (8)	N15—O16	1.239 (10)
C3—C2—N1	118.6 (5)	H21A—C21—H21B	109.5
C3—C2—C21	127.8 (5)	C2—C21—H21C	109.5
N1—C2—C21	113.6 (4)	H21A—C21—H21C	109.5
C2—C3—C31	126.4 (4)	H21B—C21—H21C	109.5
C2—C3—C4	119.7 (4)	O32—C31—O31	122.5 (5)
C31—C3—C4	113.8 (4)	O32—C31—C3	124.5 (5)
C7—C4—C5	114.4 (4)	O31—C31—C3	113.0 (4)
C7—C4—C3	109.1 (4)	O31—C32—C33	106.6 (5)
C5—C4—C3	111.1 (4)	O31—C32—H32A	110.4
C7—C4—H4	107.3	C33—C32—H32A	110.4
C5—C4—H4	107.3	O31—C32—H32B	110.4
C3—C4—H4	107.3	C33—C32—H32B	110.4
C6—C5—C51	120.6 (5)	H32A—C32—H32B	108.6
C6—C5—C4	118.5 (5)	C32—C33—H33A	109.5
C51—C5—C4	120.9 (5)	C32—C33—H33B	109.5
C5—C6—N1	118.8 (5)	H33A—C33—H33B	109.5
C5—C6—C61	126.0 (5)	C32—C33—H33C	109.5
N1—C6—C61	115.1 (5)	H33A—C33—H33C	109.5
C8—C7—O11	110.7 (4)	H33B—C33—H33C	109.5
C8—C7—C4	131.9 (5)	O52—C51—O51	120.5 (6)
O11—C7—C4	117.3 (4)	O52—C51—C5	126.9 (7)
C7—C8—C9	105.4 (5)	O51—C51—C5	112.5 (5)
C7—C8—H8	127.3	O51—C52—C53	110.6 (7)
C9—C8—H8	127.3	O51—C52—H52A	109.5
C10—C9—C8	107.9 (5)	C53—C52—H52A	109.5
C10—C9—H9	126.0	O51—C52—H52B	109.5
C8—C9—H9	126.0	C53—C52—H52B	109.5
O11—C10—C9	107.9 (4)	H52A—C52—H52B	108.1
O11—C10—C12	115.4 (4)	C52—C53—H53A	109.5
C9—C10—C12	136.7 (5)	C52—C53—H53B	109.5
C17—C12—C13	118.5 (5)	H53A—C53—H53B	109.5
C17—C12—C10	120.7 (4)	C52—C53—H53C	109.5
C13—C12—C10	120.7 (5)	H53A—C53—H53C	109.5
C14—C13—C12	120.9 (5)	H53B—C53—H53C	109.5
C14—C13—H13	119.5	C6—C61—H61A	109.5
C12—C13—H13	119.5	C6—C61—H61B	109.5
C13—C14—C15	119.3 (5)	H61A—C61—H61B	109.5
C13—C14—H14	120.3	C6—C61—H61C	109.5
C15—C14—H14	120.3	H61A—C61—H61C	109.5
C16—C15—C14	120.7 (5)	H61B—C61—H61C	109.5
C16—C15—N15	119.2 (6)	C2—N1—C6	123.7 (5)
C14—C15—N15	120.1 (5)	C2—N1—H1	118.2
C17—C16—C15	118.3 (6)	C6—N1—H1	118.2
C17—C16—H16	120.8	O15—N15—O16	122.6 (6)
C15—C16—H16	120.8	O15—N15—C15	119.8 (7)
C12—C17—C16	122.1 (5)	O16—N15—C15	117.5 (6)
C12—C17—H17	119.0	C7—O11—C10	108.0 (4)
C16—C17—H17	119.0	C31—O31—C32	114.8 (4)
C2—C21—H21A	109.5	C51—O51—C52	113.9 (7)
C2—C21—H21B	109.5
N1—C2—C3—C31	−174.1 (5)	C13—C14—C15—N15	177.6 (5)
C21—C2—C3—C31	8.6 (8)	C14—C15—C16—C17	1.0 (8)
N1—C2—C3—C4	9.8 (7)	N15—C15—C16—C17	−178.0 (5)
C21—C2—C3—C4	−167.5 (5)	C13—C12—C17—C16	−2.8 (8)
C2—C3—C4—C7	96.4 (5)	C10—C12—C17—C16	175.6 (5)
C31—C3—C4—C7	−80.2 (5)	C15—C16—C17—C12	1.1 (8)
C2—C3—C4—C5	−30.6 (6)	C2—C3—C31—O32	−166.8 (5)
C31—C3—C4—C5	152.8 (4)	C4—C3—C31—O32	9.5 (7)
C7—C4—C5—C6	−96.2 (5)	C2—C3—C31—O31	16.1 (7)
C3—C4—C5—C6	27.8 (6)	C4—C3—C31—O31	−167.6 (4)
C7—C4—C5—C51	83.8 (6)	C6—C5—C51—O52	−4.1 (12)
C3—C4—C5—C51	−152.2 (5)	C4—C5—C51—O52	176.0 (8)
C51—C5—C6—N1	174.8 (5)	C6—C5—C51—O51	−179.3 (5)
C4—C5—C6—N1	−5.3 (7)	C4—C5—C51—O51	0.8 (8)
C51—C5—C6—C61	−7.3 (9)	C3—C2—N1—C6	17.0 (7)
C4—C5—C6—C61	172.6 (5)	C21—C2—N1—C6	−165.3 (5)
C5—C4—C7—C8	97.8 (7)	C5—C6—N1—C2	−19.4 (8)
C3—C4—C7—C8	−27.3 (8)	C61—C6—N1—C2	162.4 (5)
C5—C4—C7—O11	−79.7 (5)	C16—C15—N15—O15	−175.3 (6)
C3—C4—C7—O11	155.2 (4)	C14—C15—N15—O15	5.8 (9)
O11—C7—C8—C9	−0.9 (6)	C16—C15—N15—O16	8.2 (9)
C4—C7—C8—C9	−178.5 (5)	C14—C15—N15—O16	−170.7 (7)
C7—C8—C9—C10	1.0 (6)	C8—C7—O11—C10	0.4 (5)
C8—C9—C10—O11	−0.8 (6)	C4—C7—O11—C10	178.4 (4)
C8—C9—C10—C12	176.4 (5)	C9—C10—O11—C7	0.2 (5)
O11—C10—C12—C17	8.7 (7)	C12—C10—O11—C7	−177.6 (4)
C9—C10—C12—C17	−168.4 (6)	O32—C31—O31—C32	3.3 (8)
O11—C10—C12—C13	−173.0 (4)	C3—C31—O31—C32	−179.5 (5)
C9—C10—C12—C13	10.0 (9)	C33—C32—O31—C31	−171.6 (6)
C17—C12—C13—C14	2.4 (8)	O52—C51—O51—C52	−10.9 (12)
C10—C12—C13—C14	−176.0 (5)	C5—C51—O51—C52	164.6 (7)
C12—C13—C14—C15	−0.4 (8)	C53—C52—O51—C51	128.0 (10)
C13—C14—C15—C16	−1.4 (8)

Hydrogen-bond geometry (Å, º)

D—H···A	D—H	H···A	D···A	D—H···A
N1—H1···O32^i	0.86	2.31	3.027 (6)	141

Symmetry code: (i) x−1/2, −y+2, z.